4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide

C20H25N5O3S — CID 146473748

IUPAC4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide
SMILESCC1(C)Cc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N(C2CCCC2)C1=O
InChIInChI=1S/C20H25N5O3S/c1-20(2)11-13-12-22-19(23-14-7-9-16(10-8-14)29(21,27)28)24-17(13)25(18(20)26)15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H2,21,27,28)(H,22,23,24)
InChIKeyWCNNCGJVXFEBGV-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.73
Rot. Bonds4

About 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide

4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 146473748) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID146473748
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide
SMILESCC1(C)Cc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N(C2CCCC2)C1=O
InChIInChI=1S/C20H25N5O3S/c1-20(2)11-13-12-22-19(23-14-7-9-16(10-8-14)29(21,27)28)24-17(13)25(18(20)26)15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H2,21,27,28)(H,22,23,24)
InChIKeyWCNNCGJVXFEBGV-UHFFFAOYSA-N
XLogP2.73
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

Ihmt-mst1-58
CID 162477909
N-methyl-4-[[7'-[(1S,2S)-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]benzenesulfonamide
CID 155409796
4-[[7'-[(1R,2R)-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]-N-[(3R)-1-methylpiperidin-3-yl]benzenesulfonamide
CID 168287551
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 3148017
N-[4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953736
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide
CID 141451364
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-methylbenzenesulfonamide
CID 141451372
N-cyclopentyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
CID 141451381
N-butyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
CID 141451382
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-phenylbenzenesulfonamide
CID 141451386

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide (CID 146473748) is 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide is CC1(C)Cc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N(C2CCCC2)C1=O.
What is the InChIKey of 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is WCNNCGJVXFEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-20(2)11-13-12-22-19(23-14-7-9-16(10-8-14)29(21,27)28)24-17(13)25(18(20)26)15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H2,21,27,28)(H,22,23,24).
What are the key properties of 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide?
4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-6,6-dimethyl-7-oxo-5H-pyrido[2,3-d]pyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 146473748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).