8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C23H24N6O — CID 67553457

IUPAC8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CCCC(n2c(=O)ccc3cnc(N(c4ccccc4)c4cn[nH]c4)nc32)C1
InChIInChI=1S/C23H24N6O/c1-16-6-5-9-19(12-16)29-21(30)11-10-17-13-24-23(27-22(17)29)28(20-14-25-26-15-20)18-7-3-2-4-8-18/h2-4,7-8,10-11,13-16,19H,5-6,9,12H2,1H3,(H,25,26)
InChIKeyNSYVFCHCQBVDTC-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.74
Rot. Bonds4

About 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67553457) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID67553457
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CCCC(n2c(=O)ccc3cnc(N(c4ccccc4)c4cn[nH]c4)nc32)C1
InChIInChI=1S/C23H24N6O/c1-16-6-5-9-19(12-16)29-21(30)11-10-17-13-24-23(27-22(17)29)28(20-14-25-26-15-20)18-7-3-2-4-8-18/h2-4,7-8,10-11,13-16,19H,5-6,9,12H2,1H3,(H,25,26)
InChIKeyNSYVFCHCQBVDTC-UHFFFAOYSA-N
XLogP4.74
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70133381
8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10826395
2-(N-piperidin-4-ylanilino)-8-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70113134
8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10661257
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 146673939
2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one
CID 18375157
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(3,3-dimethylbutyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70114097
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83244103
2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 18374892

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 67553457) is 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CC1CCCC(n2c(=O)ccc3cnc(N(c4ccccc4)c4cn[nH]c4)nc32)C1.
What is the InChIKey of 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NSYVFCHCQBVDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-6-5-9-19(12-16)29-21(30)11-10-17-13-24-23(27-22(17)29)28(20-14-25-26-15-20)18-7-3-2-4-8-18/h2-4,7-8,10-11,13-16,19H,5-6,9,12H2,1H3,(H,25,26).
What are the key properties of 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 400.49 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67553457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).