8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one

C21H25N5O4S — CID 170698152

IUPAC8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1cc2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
InChIInChI=1S/C21H25N5O4S/c1-21(28)10-4-5-17(21)26-18-13(11-16(22-2)19(26)27)12-23-20(25-18)24-14-6-8-15(9-7-14)31(3,29)30/h6-9,11-12,17,22,28H,4-5,10H2,1-3H3,(H,23,24,25)/t17-,21-/m1/s1
InChIKeyBUSMXMQPYDABOG-DYESRHJHSA-N
MW443.53 g/mol
LogP2.46
Rot. Bonds5

About 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170698152) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID170698152
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1cc2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
InChIInChI=1S/C21H25N5O4S/c1-21(28)10-4-5-17(21)26-18-13(11-16(22-2)19(26)27)12-23-20(25-18)24-14-6-8-15(9-7-14)31(3,29)30/h6-9,11-12,17,22,28H,4-5,10H2,1-3H3,(H,23,24,25)/t17-,21-/m1/s1
InChIKeyBUSMXMQPYDABOG-DYESRHJHSA-N
XLogP2.46
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one 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-ethynyl-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 164581734
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-[4-(oxetan-3-ylsulfonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 164581736
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(4-piperazin-1-ylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 170777669
8-(2-hydroxy-2-methylcyclopentyl)-2-[[2-[[1-(methylamino)cyclopropyl]methyl]-1,3-dihydroisoindol-5-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458964
4-[[7'-[(1R,2S)-2-hydroxy-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]-N-methylbenzenesulfonamide
CID 155181374
6-(difluoromethoxy)-2-[4-[4-(dimethylamino)-2-oxopiperidin-1-yl]anilino]-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]pyrido[2,3-d]pyrimidin-7-one
CID 167214231
2-[(3,3-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(2-trimethylsilylethynyl)pyrido[2,3-d]pyrimidin-7-one
CID 164581829
CID 174093131
CID 174093131
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
8-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-2-[(3,3,4,5,5-pentadeuterio-1-methylsulfonylpiperidin-4-yl)amino]-6-(trideuteriomethyl)pyrido[2,3-d]pyrimidin-7-one
CID 169009380
4-[4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-iodo-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylbenzonitrile
CID 164581640

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 170698152) is 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is CNc1cc2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O.
What is the InChIKey of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BUSMXMQPYDABOG-DYESRHJHSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-21(28)10-4-5-17(21)26-18-13(11-16(22-2)19(26)27)12-23-20(25-18)24-14-6-8-15(9-7-14)31(3,29)30/h6-9,11-12,17,22,28H,4-5,10H2,1-3H3,(H,23,24,25)/t17-,21-/m1/s1.
What are the key properties of 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 443.53 g/mol, XLogP of 2.46, 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]-6-(methylamino)-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170698152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).