4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C24H27N7O — CID 140608262

IUPAC4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN1CCN(c2ccc(Nc3nc(C4CCCC4)c4cc(C#N)c(=O)[nH]c4n3)cc2)CC1
InChIInChI=1S/C24H27N7O/c1-30-10-12-31(13-11-30)19-8-6-18(7-9-19)26-24-27-21(16-4-2-3-5-16)20-14-17(15-25)23(32)28-22(20)29-24/h6-9,14,16H,2-5,10-13H2,1H3,(H2,26,27,28,29,32)
InChIKeyRUCAKJWZNHWAKW-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.34
Rot. Bonds4

About 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile

4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 140608262) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID140608262
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCN1CCN(c2ccc(Nc3nc(C4CCCC4)c4cc(C#N)c(=O)[nH]c4n3)cc2)CC1
InChIInChI=1S/C24H27N7O/c1-30-10-12-31(13-11-30)19-8-6-18(7-9-19)26-24-27-21(16-4-2-3-5-16)20-14-17(15-25)23(32)28-22(20)29-24/h6-9,14,16H,2-5,10-13H2,1H3,(H2,26,27,28,29,32)
InChIKeyRUCAKJWZNHWAKW-UHFFFAOYSA-N
XLogP3.34
TPSA100.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-oxo-6-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyridine-3-carbonitrile
CID 21404523
5-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 171547233
6-(2-chlorophenyl)-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 137437129
8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
CID 91144575
4-[(2-hydroxycyclohexyl)amino]-2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 175901632
2-[[4-(4-cyclopentylphenyl)piperazin-1-yl]methyl]-4-(4-methylpiperazin-1-yl)benzonitrile
CID 135144393
5-bromo-2-[4-(4-methylpiperazin-1-yl)anilino]-1H-pyrimidin-6-one
CID 71143055
3-[[4-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112931834
cyclopentyl N-[5-ethynyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-yl]carbamate
CID 171546287
(E)-3-[4-(cyclohexylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]prop-2-enenitrile
CID 90466629
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 140608262) is 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile is CN1CCN(c2ccc(Nc3nc(C4CCCC4)c4cc(C#N)c(=O)[nH]c4n3)cc2)CC1.
What is the InChIKey of 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is RUCAKJWZNHWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30-10-12-31(13-11-30)19-8-6-18(7-9-19)26-24-27-21(16-4-2-3-5-16)20-14-17(15-25)23(32)28-22(20)29-24/h6-9,14,16H,2-5,10-13H2,1H3,(H2,26,27,28,29,32).
What are the key properties of 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 429.53 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 140608262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).