8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

C21H22N6O — CID 59258955

IUPAC8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H22N6O/c1-12-16-10-17(14-9-13-7-8-23-18(13)24-11-14)20(28)27(15-5-3-4-6-15)19(16)26-21(22-2)25-12/h7-11,15H,3-6H2,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyMDFANPCWLZYZDS-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.80
Rot. Bonds3

About 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258955) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258955
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C21H22N6O/c1-12-16-10-17(14-9-13-7-8-23-18(13)24-11-14)20(28)27(15-5-3-4-6-15)19(16)26-21(22-2)25-12/h7-11,15H,3-6H2,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyMDFANPCWLZYZDS-UHFFFAOYSA-N
XLogP3.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 59258955) is 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is CNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MDFANPCWLZYZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12-16-10-17(14-9-13-7-8-23-18(13)24-11-14)20(28)27(15-5-3-4-6-15)19(16)26-21(22-2)25-12/h7-11,15H,3-6H2,1-2H3,(H,23,24)(H,22,25,26).
What are the key properties of 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 374.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-4-methyl-2-(methylamino)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).