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

C20H18ClN3O2 — CID 163366195

IUPAC6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C(=O)c2ccccc2)c(=O)n(C2CCCC2)c2nc(Cl)ncc12
InChIInChI=1S/C20H18ClN3O2/c1-12-15-11-22-20(21)23-18(15)24(14-9-5-6-10-14)19(26)16(12)17(25)13-7-3-2-4-8-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyJGGWDOQWGIOWLK-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.10
Rot. Bonds3

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

6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 163366195) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID163366195
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C(=O)c2ccccc2)c(=O)n(C2CCCC2)c2nc(Cl)ncc12
InChIInChI=1S/C20H18ClN3O2/c1-12-15-11-22-20(21)23-18(15)24(14-9-5-6-10-14)19(26)16(12)17(25)13-7-3-2-4-8-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyJGGWDOQWGIOWLK-UHFFFAOYSA-N
XLogP4.10
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)-4-methylbenzamide
CID 23027035
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzamide
CID 46886505
N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 3235276
Phenyl-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2812699
7-[[4-(3-methylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157902480
7-[(4-propanoylphenyl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158001264
7-[[4-(4-methylpentanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160864920
7-[[4-(2-cyclopentylacetyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160864921
Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
CID 3078686
2-(1-benzoylpiperidin-2-yl)-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247797
N-benzoyl-N-pyrimidin-4-ylbenzamide
CID 118727405
8-(4-Aminobutyl)-6-(2,5-difluorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 168264783

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 163366195) is 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1c(C(=O)c2ccccc2)c(=O)n(C2CCCC2)c2nc(Cl)ncc12.
What is the InChIKey of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JGGWDOQWGIOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-15-11-22-20(21)23-18(15)24(14-9-5-6-10-14)19(26)16(12)17(25)13-7-3-2-4-8-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3.
What are the key properties of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 367.84 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163366195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).