Name: Name:8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
Brand: Angene
SKU: AG00BF5F
Rating: 90 (10 reviews)

8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

CAS No.:

211245-14-6

Catalog Number:

AG00BF5F

Molecular Formula:

C20H24N6O

Molecular Weight:

364.4442

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Product Description

Catalog Number:

AG00BF5F

Chemical Name:

8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

CAS Number:

211245-14-6

Molecular Formula:

C20H24N6O

Molecular Weight:

364.4442

MDL Number:

MFCD28384730

IUPAC Name:

8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

InChI:

InChI=1S/C20H24N6O/c1-3-26-18(27)9-4-15-14-21-20(23-19(15)26)22-16-5-7-17(8-6-16)25-12-10-24(2)11-13-25/h4-9,14H,3,10-13H2,1-2H3,(H,21,22,23)

InChI Key:

BUNLBUQVVVGGJD-UHFFFAOYSA-N

SMILES:

CCn1c(=O)ccc2c1nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C

Properties

Complexity:

539

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

364.201g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

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Isotope Atom Count:

Molecular Weight:

364.453g/mol

Monoisotopic Mass:

364.201g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Structural requirements of pyrido[2,3-d]pyrimidin-7-one as CDK4/D inhibitors: 2D autocorrelation, CoMFA and CoMSIA analyses.	Bioorganic & medicinal chemistry 20080601