Linkchem

2050038-84-9

Chemistry, 1 End Use API, 28 Related Intermediates

Manufacturers/Suppliers

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1 Suppliers

Also known as: 2050038-84-9, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine dihydrochloride, 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride, 3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-, hydrochloride (1:2), Amy16529, Db-156747

Molecular Formula

C₁₄H₁₉Cl₂N₅

Molecular Weight

328.2 g/mol

InChI Key

LKVHWZCFMAQTFX-NKRBYZSKSA-N

1 2D Structure

2050038-84-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

12-[(3R,4S)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride

2.1.2 InChI

InChI=1S/C14H17N5.2ClH/c1-2-9-5-15-6-10(9)12-7-17-13-8-18-14-11(19(12)13)3-4-16-14;;/h3-4,7-10,15-16H,2,5-6H2,1H3;2*1H/t9-,10+;;/m1../s1

2.1.3 InChI Key

LKVHWZCFMAQTFX-NKRBYZSKSA-N

2.1.4 Canonical SMILES

CCC1CNCC1C2=CN=C3N2C4=C(NC=C4)N=C3.Cl.Cl

2.1.5 Isomeric SMILES

CC[C@@H]1CNC[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2050038-84-9

2. 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine Dihydrochloride

3. 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;dihydrochloride

4. 3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3r,4s)-4-ethyl-3-pyrrolidinyl]-, Hydrochloride (1:2)

5. Amy16529

6. Db-156747

7. 8-((3r,4s)-4-ethyl-3-pyrrolidinyl)-3h-imidazo[1,2-a]pyrrolo[2,3-e]pyrazine 2hcl

8. 12-[(3r,4s)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetraazatricyclo[7.3.0.0,dodeca-2(6),3,7,9,11-pentaene Dihydrochloride

2.3 Create Date

2019-12-06

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉Cl₂N₅
Molecular Weight	328.2 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58
Heavy Atom Count	21
Formal Charge	0
Complexity	336
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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2-bromo-5H-pyrrolo[2,3-b]pyrazine

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CAS Number

875781-43-4

End Use API

Upadacitinib

About the Company

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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