1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one

C20H21ClN4O — CID 156541985

IUPAC1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc2c(N3CCC(C)(C)C3)nc(=O)n(-c3ccccc3Cl)c2n1
InChIInChI=1S/C20H21ClN4O/c1-13-8-9-14-17(24-11-10-20(2,3)12-24)23-19(26)25(18(14)22-13)16-7-5-4-6-15(16)21/h4-9H,10-12H2,1-3H3
InChIKeyIFBXELCQTHVLRW-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.98
Rot. Bonds2

About 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one

1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 156541985) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one
PubChem CID156541985
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccc2c(N3CCC(C)(C)C3)nc(=O)n(-c3ccccc3Cl)c2n1
InChIInChI=1S/C20H21ClN4O/c1-13-8-9-14-17(24-11-10-20(2,3)12-24)23-19(26)25(18(14)22-13)16-7-5-4-6-15(16)21/h4-9H,10-12H2,1-3H3
InChIKeyIFBXELCQTHVLRW-UHFFFAOYSA-N
XLogP3.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-7-methyl-4-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-2-one
CID 157172748
1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one
CID 158585099
1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one
CID 158418655
1-(2-chlorophenyl)-4-(dimethylamino)-7-methyl-3-(1-methyl-6-methylidene-3-pyridinyl)-1,8-naphthyridin-2-one
CID 175617021
3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 158112369
2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline
CID 104834721
1-(2-chlorophenyl)-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 156541994
7-chloro-1-(2-chlorophenyl)-4-[(3R)-3-hydroxypyrrolidin-1-yl]-1,8-naphthyridin-2-one
CID 175328918
2-(4,4-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 62930201
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165316
3-(2-chloro-3-methylphenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 161287827
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148514727

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one (CID 156541985) is 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one is Cc1ccc2c(N3CCC(C)(C)C3)nc(=O)n(-c3ccccc3Cl)c2n1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is IFBXELCQTHVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13-8-9-14-17(24-11-10-20(2,3)12-24)23-19(26)25(18(14)22-13)16-7-5-4-6-15(16)21/h4-9H,10-12H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one?
1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 368.87 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(3,3-dimethylpyrrolidin-1-yl)-7-methylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156541985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).