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-trifluoroethylsulfonyl)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

C89H95F6N27O8S4 — CID 159119771

About 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-trifluoroethylsulfonyl)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-(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-trifluoroethylsulfonyl)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 159119771) has the molecular formula C89H95F6N27O8S4 and a molecular weight of 1913.18 g/mol. Its IUPAC name is 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-trifluoroethylsulfonyl)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-(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-trifluoroethylsulfonyl)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: 159119771
• Molecular Formula: C89H95F6N27O8S4
• Molecular Weight: 1913.18 g/mol
• Exact Mass: 1911.66
• IUPAC Name: 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-trifluoroethylsulfonyl)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)(=O)CC(F)(F)F)c1=O
• InChI: InChI=1S/C33H34F3N9O2S.C29H32N10O2S2.C27H29F3N8O4S/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)43(41,42)15-27(28,29)30/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)
• InChIKey: KFNVEODBUWJABU-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 410.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1913.18
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

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-(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-trifluoroethylsulfonyl)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-(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-trifluoroethylsulfonyl)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 159119771) is 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-trifluoroethylsulfonyl)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-(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-trifluoroethylsulfonyl)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-(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-trifluoroethylsulfonyl)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)(=O)CC(F)(F)F)c1=O.

What is the InChIKey of 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-trifluoroethylsulfonyl)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 KFNVEODBUWJABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N9O2S.C29H32N10O2S2.C27H29F3N8O4S/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)43(41,42)15-27(28,29)30/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).

What are the key properties of 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-trifluoroethylsulfonyl)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-(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-trifluoroethylsulfonyl)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 1913.18 g/mol, XLogP of 11.26, 28 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 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-trifluoroethylsulfonyl)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 159119771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).