6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C132H136F4N28O13S7 — CID 158459594

About 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158459594) has the molecular formula C132H136F4N28O13S7 and a molecular weight of 2623.18 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158459594
• Molecular Formula: C132H136F4N28O13S7
• Molecular Weight: 2623.18 g/mol
• Exact Mass: 2620.88
• IUPAC Name: 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=S(=O)(CC(F)(F)F)c1ccc(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(Cc3nccs3)c2=O)c(F)c1.C=S(=O)(c1ccncc1)c1cnc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(-c3nccs3)c2=O)c(C)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(S(=O)(=O)C2CCOCC2)c1.Cc1nn(S(=O)(=O)c2cccs2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(CC2CCOCC2)c1=O
• InChI: InChI=1S/C35H41N7O5S.C33H30N8O2S2.C33H37N7O4S2.C31H28F4N6O2S2/c1-24-4-9-29(31(20-24)48(45,46)28-10-18-47-19-11-28)30-21-25-22-37-35(38-26-5-7-27(8-6-26)40-16-12-36-13-17-40)39-33(25)42(34(30)44)23-32(43)41-14-2-3-15-41;1-21-17-27(45(2,43)26-9-13-35-14-10-26)20-37-29(21)28-18-24-19-38-32(40-30(24)41(31(28)42)33-36-15-16-44-33)39-25-5-3-22(4-6-25)23-7-11-34-12-8-23;1-21-30(22(2)40(38-21)46(42,43)29-6-4-16-45-29)28-17-26-19-35-33(36-27-9-7-24(8-10-27)25-5-3-13-34-18-25)37-31(26)39(32(28)41)20-23-11-14-44-15-12-23;1-40-11-9-20(16-40)19-3-5-22(6-4-19)38-30-37-15-21-13-25(29(42)41(28(21)39-30)17-27-36-10-12-44-27)24-8-7-23(14-26(24)32)45(2,43)18-31(33,34)35/h4-9,20-22,28,36H,2-3,10-19,23H2,1H3,(H,37,38,39);3-6,9-10,13-20,23,34H,2,7-8,11-12H2,1H3,(H,38,39,40);4,6-10,16-17,19,23,25,34H,3,5,11-15,18,20H2,1-2H3,(H,35,36,37);3-8,10,12-15,20H,2,9,11,16-18H2,1H3,(H,37,38,39)
• InChIKey: HEZRJZVHAISSFI-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 492.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.18
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158459594) is 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C=S(=O)(CC(F)(F)F)c1ccc(-c2cc3cnc(Nc4ccc(C5CCN(C)C5)cc4)nc3n(Cc3nccs3)c2=O)c(F)c1.C=S(=O)(c1ccncc1)c1cnc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(-c3nccs3)c2=O)c(C)c1.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c(S(=O)(=O)C2CCOCC2)c1.Cc1nn(S(=O)(=O)c2cccs2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(CC2CCOCC2)c1=O.

What is the InChIKey of 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HEZRJZVHAISSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O5S.C33H30N8O2S2.C33H37N7O4S2.C31H28F4N6O2S2/c1-24-4-9-29(31(20-24)48(45,46)28-10-18-47-19-11-28)30-21-25-22-37-35(38-26-5-7-27(8-6-26)40-16-12-36-13-17-40)39-33(25)42(34(30)44)23-32(43)41-14-2-3-15-41;1-21-17-27(45(2,43)26-9-13-35-14-10-26)20-37-29(21)28-18-24-19-38-32(40-30(24)41(31(28)42)33-36-15-16-44-33)39-25-5-3-22(4-6-25)23-7-11-34-12-8-23;1-21-30(22(2)40(38-21)46(42,43)29-6-4-16-45-29)28-17-26-19-35-33(36-27-9-7-24(8-10-27)25-5-3-13-34-18-25)37-31(26)39(32(28)41)20-23-11-14-44-15-12-23;1-40-11-9-20(16-40)19-3-5-22(6-4-19)38-30-37-15-21-13-25(29(42)41(28(21)39-30)17-27-36-10-12-44-27)24-8-7-23(14-26(24)32)45(2,43)18-31(33,34)35/h4-9,20-22,28,36H,2-3,10-19,23H2,1H3,(H,37,38,39);3-6,9-10,13-20,23,34H,2,7-8,11-12H2,1H3,(H,38,39,40);4,6-10,16-17,19,23,25,34H,3,5,11-15,18,20H2,1-2H3,(H,35,36,37);3-8,10,12-15,20H,2,9,11,16-18H2,1H3,(H,37,38,39).

What are the key properties of 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?

6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2623.18 g/mol, XLogP of 19.95, 31 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-[methylidene-oxo-(2,2,2-trifluoroethyl)-λ6-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(methylidene-oxo-pyridin-4-yl-λ6-sulfanyl)-2-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(oxan-4-ylsulfonyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158459594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).