3-chloro-N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)propanamide manufacturers and suppliers on PharmaCompass

3-chloro-N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)propanamide

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CHEMISTRY

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1 Suppliers, 1 End Use APIs, 39 Related Intermediates

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1 End Use APIs
39 Related Intermediates

Chemistry

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Also known as: 1421373-36-5, Propanamide, 3-chloro-n-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-, Schembl14660707, Czjsvpnnngpqqq-uhfffaoysa-n, Bcp18557, Db-122670

Molecular Formula

C₂₈H₃₄ClN₇O₂

Molecular Weight

536.1 g/mol

InChI Key

CZJSVPNNNGPQQQ-UHFFFAOYSA-N

1 2D Structure

3-chloro-N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)propanamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide

2.1.2 InChI

InChI=1S/C28H34ClN7O2/c1-34(2)14-15-35(3)25-17-26(38-5)23(16-22(25)31-27(37)10-12-29)33-28-30-13-11-21(32-28)20-18-36(4)24-9-7-6-8-19(20)24/h6-9,11,13,16-18H,10,12,14-15H2,1-5H3,(H,31,37)(H,30,32,33)

2.1.3 InChI Key

CZJSVPNNNGPQQQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)CCCl)N(C)CCN(C)C)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1421373-36-5

2. Propanamide, 3-chloro-n-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1h-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-

3. Schembl14660707

4. Czjsvpnnngpqqq-uhfffaoysa-n

5. Bcp18557

6. Db-122670

7. 3-chloro-n-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-(4-(1-methyl-1h-indol-3-yl)pyrimidin-2-ylamino)phenyl)propanamide

8. 3-chloro-n-[2-[2-dimethylaminoethyl(methyl)amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide

2.3 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₄ClN₇O₂
Molecular Weight	536.1 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	87.6
Heavy Atom Count	38
Formal Charge	0
Complexity	746
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