8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one

C19H20N4OS — CID 166117995

IUPAC8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(S)ccc1Nc1ncc2ccc(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C19H20N4OS/c1-12-10-15(25)7-8-16(12)21-19-20-11-13-6-9-17(24)23(18(13)22-19)14-4-2-3-5-14/h6-11,14,25H,2-5H2,1H3,(H,20,21,22)
InChIKeyRVLQCZIZFFVMOH-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.25
Rot. Bonds3

About 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 166117995) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID166117995
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(S)ccc1Nc1ncc2ccc(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C19H20N4OS/c1-12-10-15(25)7-8-16(12)21-19-20-11-13-6-9-17(24)23(18(13)22-19)14-4-2-3-5-14/h6-11,14,25H,2-5H2,1H3,(H,20,21,22)
InChIKeyRVLQCZIZFFVMOH-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8-cyclopentyl-2-[2-methyl-4-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171599021
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
6-chloro-2-(2-methyl-4-sulfanylanilino)-8-spiro[2.4]heptan-7-ylpyrido[2,3-d]pyrimidin-7-one
CID 166118251
6-chloro-8-cyclopentyl-2-[2-methyl-4-(2-methylpropylsulfonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 171598517
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N,3-dimethylbenzenesulfinamide;ethane
CID 170952194
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,N,3-trimethylbenzenesulfinamide
CID 170953422
2-(4-tert-butylsulfanyl-2-methylanilino)-6-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 170953967
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-cyclohexyl-3-methylbenzenesulfonamide
CID 174308510
8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
4-[(6-chloro-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-N-ethyl-3-methylbenzenesulfonamide
CID 170952792

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 166117995) is 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(S)ccc1Nc1ncc2ccc(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RVLQCZIZFFVMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-10-15(25)7-8-16(12)21-19-20-11-13-6-9-17(24)23(18(13)22-19)14-4-2-3-5-14/h6-11,14,25H,2-5H2,1H3,(H,20,21,22).
What are the key properties of 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 352.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166117995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).