2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane

C25H33ClN4OS — CID 170953967

IUPAC2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane
SMILESCC.Cc1cc(SC(C)(C)C)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C23H27ClN4OS.C2H6/c1-14-11-17(30-23(2,3)4)9-10-19(14)26-22-25-13-15-12-18(24)21(29)28(20(15)27-22)16-7-5-6-8-16;1-2/h9-13,16H,5-8H2,1-4H3,(H,25,26,27);1-2H3
InChIKeyZKBSMNYDXNKPSK-UHFFFAOYSA-N
MW473.09 g/mol
LogP7.53
Rot. Bonds4

About 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane

2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane (PubChem CID 170953967) has the molecular formula C25H33ClN4OS and a molecular weight of 473.09 g/mol. Its IUPAC name is 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane.

Molecular Properties

Compound Name2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane
PubChem CID170953967
Molecular FormulaC25H33ClN4OS
Molecular Weight473.09 g/mol
Exact Mass472.21
IUPAC Name2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane
SMILESCC.Cc1cc(SC(C)(C)C)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C23H27ClN4OS.C2H6/c1-14-11-17(30-23(2,3)4)9-10-19(14)26-22-25-13-15-12-18(24)21(29)28(20(15)27-22)16-7-5-6-8-16;1-2/h9-13,16H,5-8H2,1-4H3,(H,25,26,27);1-2H3
InChIKeyZKBSMNYDXNKPSK-UHFFFAOYSA-N
XLogP7.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.09
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane 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

6-chloro-8-cyclopentyl-2-[2-methyl-4-(propan-2-ylamino)sulfanylanilino]pyrido[2,3-d]pyrimidin-7-one
CID 170951887
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N,3-dimethylbenzenesulfinamide;ethane
CID 170952194
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N,N,3-trimethylbenzenesulfinamide
CID 170953422
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-cyclohexyl-3-methylbenzenesulfonamide
CID 174308510
6-chloro-8-cyclopentyl-2-[4-(dimethylaminosulfonimidoyl)-2-methylanilino]pyrido[2,3-d]pyrimidin-7-one
CID 174308141
6-chloro-8-cyclopentyl-2-[2-methyl-4-[(R)-(4-methylcyclohexyl)sulfinyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 174316051
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-ethyl-3-methylbenzenesulfonamide
CID 170952792
6-chloro-8-cyclopentyl-2-[2-methyl-4-(2-methylpropylsulfonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598517
4-[4-[4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-methylphenyl]-3-oxopiperazin-1-yl]cyclohexane-1-carbaldehyde
CID 166118182
2-[4-(7-azaspiro[3.5]nonan-2-ylsulfonyl)-2-methylanilino]-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 170952794
6-chloro-8-cyclopentyl-2-[2-methyl-4-[(2-propan-2-yl-2-azaspiro[3.5]nonan-7-yl)sulfinyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598478
8-cyclopentyl-6-(difluoromethyl)-2-[4-(2-hydroxyethylamino)sulfanyl-2-methylanilino]pyrido[2,3-d]pyrimidin-7-one
CID 170952228

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane?
The IUPAC name of 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane (CID 170953967) is 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane.
What is the SMILES notation for 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane?
The canonical SMILES for 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane is CC.Cc1cc(SC(C)(C)C)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane?
The InChIKey is ZKBSMNYDXNKPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4OS.C2H6/c1-14-11-17(30-23(2,3)4)9-10-19(14)26-22-25-13-15-12-18(24)21(29)28(20(15)27-22)16-7-5-6-8-16;1-2/h9-13,16H,5-8H2,1-4H3,(H,25,26,27);1-2H3.
What are the key properties of 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane?
2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane has a molecular weight of 473.09 g/mol, XLogP of 7.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane is sourced from PubChem (CID 170953967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).