6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

C113H119BrF6N32O10S6 — CID 161213996

About 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161213996) has the molecular formula C113H119BrF6N32O10S6 and a molecular weight of 2471.70 g/mol. Its IUPAC name is 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161213996
• Molecular Formula: C113H119BrF6N32O10S6
• Molecular Weight: 2471.70 g/mol
• Exact Mass: 2468.72
• IUPAC Name: 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCC(CC)c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(Cc2nccnc2S(=O)c2ccncc2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nnn(C)c2S(=O)c2nccs2)c1=O.CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2nn(C)cc2S(=O)CC(F)(F)F)c1=O.CS(=O)(=O)c1sccc1Cn1c(=O)c(Br)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21
• InChI: InChI=1S/C33H34F3N9O2S.C29H32N10O2S2.C27H29F3N8O3S.C24H24BrN5O3S2/c1-3-21(4-2)25-17-22-19-41-32(42-23-5-6-28(26(18-23)33(34,35)36)44-15-13-38-14-16-44)43-29(22)45(31(25)46)20-27-30(40-12-11-39-27)48(47)24-7-9-37-10-8-24;1-4-38(5-2)24-16-21-17-32-28(33-22-8-6-19(7-9-22)20-10-12-30-13-11-20)34-25(21)39(26(24)40)18-23-27(37(3)36-35-23)43(41)29-31-14-15-42-29;1-36(2)24(39)20-10-18-12-32-26(33-19-6-4-16(5-7-19)17-8-9-31-11-17)34-23(18)38(25(20)40)13-21-22(14-37(3)35-21)42(41)15-27(28,29)30;1-35(32,33)23-17(8-11-34-23)14-30-21-18(12-20(25)22(30)31)13-27-24(29-21)28-19-4-2-15(3-5-19)16-6-9-26-10-7-16/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H,41,42,43);6-10,14-17,30H,4-5,11-13,18H2,1-3H3,(H,32,33,34);4-7,10,12,14,17,31H,8-9,11,13,15H2,1-3H3,(H,32,33,34);2-5,8,11-13,16,26H,6-7,9-10,14H2,1H3,(H,27,28,29)
• InChIKey: UWPPDWIWWVEZFL-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 499.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 34
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.70
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 161213996) is 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is CCC(CC)c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(Cc2nccnc2S(=O)c2ccncc2)c1=O.CCN(CC)c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nnn(C)c2S(=O)c2nccs2)c1=O.CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2nn(C)cc2S(=O)CC(F)(F)F)c1=O.CS(=O)(=O)c1sccc1Cn1c(=O)c(Br)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.

What is the InChIKey of 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UWPPDWIWWVEZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N9O2S.C29H32N10O2S2.C27H29F3N8O3S.C24H24BrN5O3S2/c1-3-21(4-2)25-17-22-19-41-32(42-23-5-6-28(26(18-23)33(34,35)36)44-15-13-38-14-16-44)43-29(22)45(31(25)46)20-27-30(40-12-11-39-27)48(47)24-7-9-37-10-8-24;1-4-38(5-2)24-16-21-17-32-28(33-22-8-6-19(7-9-22)20-10-12-30-13-11-20)34-25(21)39(26(24)40)18-23-27(37(3)36-35-23)43(41)29-31-14-15-42-29;1-36(2)24(39)20-10-18-12-32-26(33-19-6-4-16(5-7-19)17-8-9-31-11-17)34-23(18)38(25(20)40)13-21-22(14-37(3)35-21)42(41)15-27(28,29)30;1-35(32,33)23-17(8-11-34-23)14-30-21-18(12-20(25)22(30)31)13-27-24(29-21)28-19-4-2-15(3-5-19)16-6-9-26-10-7-16/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H,41,42,43);6-10,14-17,30H,4-5,11-13,18H2,1-3H3,(H,32,33,34);4-7,10,12,14,17,31H,8-9,11,13,15H2,1-3H3,(H,32,33,34);2-5,8,11-13,16,26H,6-7,9-10,14H2,1H3,(H,27,28,29).

What are the key properties of 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one?

6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2471.70 g/mol, XLogP of 15.87, 34 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-[(2-methylsulfonylthiophen-3-yl)methyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(diethylamino)-8-[[1-methyl-5-(1,3-thiazol-2-ylsulfinyl)triazol-4-yl]methyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-8-[[1-methyl-4-(2,2,2-trifluoroethylsulfinyl)pyrazol-3-yl]methyl]-7-oxo-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidine-6-carboxamide;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(3-pyridin-4-ylsulfinylpyrazin-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161213996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).