2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

C25H35N3O — CID 163203344

IUPAC2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C2CCCCC2)c(=O)n(C2CCCC2)c2nc(C3CCCCC3)ncc12
InChIInChI=1S/C25H35N3O/c1-17-21-16-26-23(19-12-6-3-7-13-19)27-24(21)28(20-14-8-9-15-20)25(29)22(17)18-10-4-2-5-11-18/h16,18-20H,2-15H2,1H3
InChIKeyNVBZWBMHFWSOJZ-UHFFFAOYSA-N
MW393.58 g/mol
LogP6.31
Rot. Bonds3

About 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 163203344) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID163203344
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C2CCCCC2)c(=O)n(C2CCCC2)c2nc(C3CCCCC3)ncc12
InChIInChI=1S/C25H35N3O/c1-17-21-16-26-23(19-12-6-3-7-13-19)27-24(21)28(20-14-8-9-15-20)25(29)22(17)18-10-4-2-5-11-18/h16,18-20H,2-15H2,1H3
InChIKeyNVBZWBMHFWSOJZ-UHFFFAOYSA-N
XLogP6.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-cyclopentyl-6-iodo-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 11395497
bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
CID 166112371
6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one;methanamine
CID 144744641
8-cyclopentyl-5-methyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155572209
6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 163366195
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 70952939
8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
CID 154640809
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839
6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 22329873
6-acetyl-8-cyclohexyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166879305
8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11483180

Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 163203344) is 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1c(C2CCCCC2)c(=O)n(C2CCCC2)c2nc(C3CCCCC3)ncc12.
What is the InChIKey of 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NVBZWBMHFWSOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-17-21-16-26-23(19-12-6-3-7-13-19)27-24(21)28(20-14-8-9-15-20)25(29)22(17)18-10-4-2-5-11-18/h16,18-20H,2-15H2,1H3.
What are the key properties of 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 393.58 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163203344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).