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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Also known as: Mk-6240, 1841078-87-2, 800u03334f, 5-isoquinolinamine, 6-fluoro-3-(1h-pyrrolo(2,3-c)pyridin-1-yl)-, Florquinitau, Chembl4804173

Molecular Formula

C₁₆H₁₁FN₄

Molecular Weight

278.28 g/mol

InChI Key

KAXAUWZJVWGFDO-UHFFFAOYSA-N

FDA UNII

800U03334F

1 2D Structure

Mk-6240

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine

2.1.2 InChI

InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2

2.1.3 InChI Key

KAXAUWZJVWGFDO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C2=CC(=NC=C21)N3C=CC4=C3C=NC=C4)N)F

2.2 Other Identifiers

2.2.1 UNII

800U03334F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-(fluoro)-3-(1h-pyrrolo(2,3-c)pyridin-1-yl)isoquinolin-5-amine

2. Mk-6240

2.3.2 Depositor-Supplied Synonyms

1. Mk-6240

2. 1841078-87-2

3. 800u03334f

4. 5-isoquinolinamine, 6-fluoro-3-(1h-pyrrolo(2,3-c)pyridin-1-yl)-

5. Florquinitau

6. Chembl4804173

7. Schembl17336507

8. Bdbm281567

9. Unii-800u03334f

10. Us10022461, Compound 18

11. Hy-101186

12. Cs-0020954

13. Q27269098

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₁FN₄
Molecular Weight	278.28 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	278.09677453 g/mol
Monoisotopic Mass	278.09677453 g/mol
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1