8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one

C23H28N6O4S — CID 170777669

IUPAC8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@]1(O)CCC[C@H]1n1c(=O)ccc2cnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc21
InChIInChI=1S/C23H28N6O4S/c1-23(31)10-2-3-19(23)29-20(30)9-4-16-15-25-22(27-21(16)29)26-17-5-7-18(8-6-17)34(32,33)28-13-11-24-12-14-28/h4-9,15,19,24,31H,2-3,10-14H2,1H3,(H,25,26,27)/t19-,23-/m1/s1
InChIKeyXYVVXYMLYNEPQD-AUSIDOKSSA-N
MW484.58 g/mol
LogP1.61
Rot. Bonds5

About 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170777669) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID170777669
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC Name8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@]1(O)CCC[C@H]1n1c(=O)ccc2cnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc21
InChIInChI=1S/C23H28N6O4S/c1-23(31)10-2-3-19(23)29-20(30)9-4-16-15-25-22(27-21(16)29)26-17-5-7-18(8-6-17)34(32,33)28-13-11-24-12-14-28/h4-9,15,19,24,31H,2-3,10-14H2,1H3,(H,25,26,27)/t19-,23-/m1/s1
InChIKeyXYVVXYMLYNEPQD-AUSIDOKSSA-N
XLogP1.61
TPSA129.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[4-(oxetan-3-ylsulfonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 164581736
tert-butyl 4-[[4-[4-[[8-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-1-yl]methyl]piperidine-1-carboxylate
CID 174190116
2-[(1-ethylsulfonylpiperidin-4-yl)amino]-8-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]pyrido[2,3-d]pyrimidin-7-one
CID 134253078
6-ethynyl-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 164581734
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 170698152
4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-iodo-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
CID 164581667
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[(1-prop-1-en-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904383
4-(4-piperazin-1-ylsulfonylanilino)spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 162360085
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[[1-[(E)-prop-1-enyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166903983
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[[3,3,4,5,5-pentadeuterio-1-(trideuteriomethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 169009279
[8-[(2R)-2-hydroxy-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]-oxosulfanium
CID 174149472
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[(2-methyl-1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 164581671

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 170777669) is 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is C[C@@]1(O)CCC[C@H]1n1c(=O)ccc2cnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc21.
What is the InChIKey of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XYVVXYMLYNEPQD-AUSIDOKSSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-23(31)10-2-3-19(23)29-20(30)9-4-16-15-25-22(27-21(16)29)26-17-5-7-18(8-6-17)34(32,33)28-13-11-24-12-14-28/h4-9,15,19,24,31H,2-3,10-14H2,1H3,(H,25,26,27)/t19-,23-/m1/s1.
What are the key properties of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 484.58 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170777669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).