6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C23H22N6O — CID 22329978

IUPAC6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESNc1cc2cnc(Nc3ccc(-c4ccccc4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H22N6O/c24-19-12-17-14-26-23(28-21(17)29(22(19)30)18-8-4-5-9-18)27-20-11-10-16(13-25-20)15-6-2-1-3-7-15/h1-3,6-7,10-14,18H,4-5,8-9,24H2,(H,25,26,27,28)
InChIKeyIWPUIKSMCXJKSZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.29
Rot. Bonds4

About 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 22329978) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID22329978
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESNc1cc2cnc(Nc3ccc(-c4ccccc4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H22N6O/c24-19-12-17-14-26-23(28-21(17)29(22(19)30)18-8-4-5-9-18)27-20-11-10-16(13-25-20)15-6-2-1-3-7-15/h1-3,6-7,10-14,18H,4-5,8-9,24H2,(H,25,26,27,28)
InChIKeyIWPUIKSMCXJKSZ-UHFFFAOYSA-N
XLogP4.29
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[(6-amino-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]acetamide
CID 18455535
6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 90280590
2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 22330006
2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329937
8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329821
N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
CID 22329966
1-[6-[(6-benzyl-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]pyrrolidine-2-carboxylic acid
CID 22329943
8-cyclopentyl-2-[[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329819
6-amino-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132986
8-cyclopentyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 167163071
7-cyclopentyl-2-[[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764115
6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethoxymethyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329815

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 22329978) is 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is Nc1cc2cnc(Nc3ccc(-c4ccccc4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IWPUIKSMCXJKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-19-12-17-14-26-23(28-21(17)29(22(19)30)18-8-4-5-9-18)27-20-11-10-16(13-25-20)15-6-2-1-3-7-15/h1-3,6-7,10-14,18H,4-5,8-9,24H2,(H,25,26,27,28).
What are the key properties of 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 398.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22329978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).