6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C37H46N6O2 — CID 90210686

IUPAC6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O
InChIInChI=1S/C37H46N6O2/c1-25-21-28(27-5-3-4-6-27)7-12-33(25)34-22-29-23-39-37(41-35(29)43(36(34)44)24-26-15-19-45-20-16-26)40-30-8-10-31(11-9-30)42(2)32-13-17-38-18-14-32/h7-12,21-23,26-27,32,38H,3-6,13-20,24H2,1-2H3,(H,39,40,41)
InChIKeyQCUCJTQWUWAIEK-UHFFFAOYSA-N
MW606.82 g/mol
LogP6.78
Rot. Bonds8

About 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90210686) has the molecular formula C37H46N6O2 and a molecular weight of 606.82 g/mol. Its IUPAC name is 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90210686
Molecular FormulaC37H46N6O2
Molecular Weight606.82 g/mol
Exact Mass606.37
IUPAC Name6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O
InChIInChI=1S/C37H46N6O2/c1-25-21-28(27-5-3-4-6-27)7-12-33(25)34-22-29-23-39-37(41-35(29)43(36(34)44)24-26-15-19-45-20-16-26)40-30-8-10-31(11-9-30)42(2)32-13-17-38-18-14-32/h7-12,21-23,26-27,32,38H,3-6,13-20,24H2,1-2H3,(H,39,40,41)
InChIKeyQCUCJTQWUWAIEK-UHFFFAOYSA-N
XLogP6.78
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.82
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

N-Cyclopropyl-4-Methyl-3-[8-Methyl-7-Oxo-2-(Tetrahydro-2h-Pyran-4-Ylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]benzamide
CID 25016226
Preparation of n-(cyanomethyl)-4-(5-methyl-2-((4-(4-morpholinopiperidin-1-yl)phenyl)amino)pyrimidin-4-yl)benzamide
CID 117858546
N-(cyanomethyl)-4-(5-methyl-2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25059112
N-(cyanomethyl)-2-methyl-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25062498
6-(2,6-Dimethyl-phenyl)-8-methyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 44390953
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46886480
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46886481
(S)-N-ethyl-3,4-dimethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
CID 46886534
Preparation of n-(cyanomethyl)-4-(2-((4-(4-morpholinopiperidin-1-yl)phenyl)amino)pyrimidin-4-yl)benzamide
CID 117858132
Preparation of 4-(2-((4-(4-(1-oxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)-n-(cyanomethyl)benzamide
CID 117859640
3-[Ethyl(tetrahydro-2H-pyran-4-yl)amino]-N-[(2,3,5,6,7,8-hexahydro-1-methyl-3-oxo-4-isoquinolinyl)methyl]-2-methyl-5-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-benzamide
CID 132517142
Pyrido[2,3-d]pyrimidin-7-one deriv. 38
CID 5328646

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 90210686) is 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.
What is the InChIKey of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QCUCJTQWUWAIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N6O2/c1-25-21-28(27-5-3-4-6-27)7-12-33(25)34-22-29-23-39-37(41-35(29)43(36(34)44)24-26-15-19-45-20-16-26)40-30-8-10-31(11-9-30)42(2)32-13-17-38-18-14-32/h7-12,21-23,26-27,32,38H,3-6,13-20,24H2,1-2H3,(H,39,40,41).
What are the key properties of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 606.82 g/mol, XLogP of 6.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90210686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).