2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one

C24H30N4O — CID 18375157

IUPAC2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)(C)C1CCC(n2c(=O)ccc3cnc(Nc4ccccc4)nc32)CC1
InChIInChI=1S/C24H30N4O/c1-4-24(2,3)18-11-13-20(14-12-18)28-21(29)15-10-17-16-25-23(27-22(17)28)26-19-8-6-5-7-9-19/h5-10,15-16,18,20H,4,11-14H2,1-3H3,(H,25,26,27)
InChIKeyZUPZPPNKDABWBO-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.70
Rot. Bonds5

About 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375157) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375157
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCC(C)(C)C1CCC(n2c(=O)ccc3cnc(Nc4ccccc4)nc32)CC1
InChIInChI=1S/C24H30N4O/c1-4-24(2,3)18-11-13-20(14-12-18)28-21(29)15-10-17-16-25-23(27-22(17)28)26-19-8-6-5-7-9-19/h5-10,15-16,18,20H,4,11-14H2,1-3H3,(H,25,26,27)
InChIKeyZUPZPPNKDABWBO-UHFFFAOYSA-N
XLogP5.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-anilino-8-(4-butan-2-ylcyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 18374892
8-(4-methylcyclohexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374881
8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
1-[4-[(8-cyclohexyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidine-4-carboxylic acid
CID 18375092
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one
CID 18374988
8-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374795
2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 18375214
8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375238
8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 166117995

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one (CID 18375157) is 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one is CCC(C)(C)C1CCC(n2c(=O)ccc3cnc(Nc4ccccc4)nc32)CC1.
What is the InChIKey of 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZUPZPPNKDABWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-4-24(2,3)18-11-13-20(14-12-18)28-21(29)15-10-17-16-25-23(27-22(17)28)26-19-8-6-5-7-9-19/h5-10,15-16,18,20H,4,11-14H2,1-3H3,(H,25,26,27).
What are the key properties of 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 390.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[4-(2-methylbutan-2-yl)cyclohexyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).