2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate

C165H166ClF9N42O8S3 — CID 159424582

About 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate (PubChem CID 159424582) has the molecular formula C165H166ClF9N42O8S3 and a molecular weight of 3168.06 g/mol. Its IUPAC name is 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate.

Molecular Properties

• Compound Name: 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate
• PubChem CID: 159424582
• Molecular Formula: C165H166ClF9N42O8S3
• Molecular Weight: 3168.06 g/mol
• Exact Mass: 3165.26
• IUPAC Name: 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate
• SMILES: CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc21.CSN1CCC(n2c(=O)c(-c3cnc(-c4cnccn4)nc3C)cc3cnc(Nc4ccc(N5CCNC(C)C5)c(F)c4)nc32)CC1.Cc1cnc(-c2ccccn2)nc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1sc(-c2cccn2C)nc1-c1cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n(CC2CC2)c1=O.Cn1nccc1-c1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(C3CCOC3)c2=O)c(Cl)c1.O.O
• InChI: InChI=1S/C36H31F3N8OS.C33H36FN11OS.C33H36N8OS.C32H30ClF3N8O2.C31H29F2N7O.2H2O/c1-22-18-41-32(29-9-5-6-14-40-29)44-31(22)27-17-25-19-42-35(43-26-12-10-23(11-13-26)30-21-46(2)15-16-49-30)45-33(25)47(34(27)48)20-24-7-3-4-8-28(24)36(37,38)39;1-20-19-43(13-10-36-20)29-5-4-23(15-27(29)34)41-33-39-16-22-14-25(26-17-38-30(40-21(26)2)28-18-35-8-9-37-28)32(46)45(31(22)42-33)24-6-11-44(47-3)12-7-24;1-21-29(36-31(43-21)28-6-4-13-38(28)2)27-17-23-18-34-33(37-30(23)41(32(27)42)19-22-7-8-22)35-24-9-11-25(12-10-24)40-16-15-39-14-3-5-26(39)20-40;1-42-27(6-8-39-42)19-2-4-23(26(33)15-19)24-14-20-17-38-31(41-29(20)44(30(24)45)22-7-13-46-18-22)40-21-3-5-28(25(16-21)32(34,35)36)43-11-9-37-10-12-43;1-3-39-29-22(13-25(30(39)41)24-8-6-20(14-26(24)32)21-5-4-10-34-17-21)18-36-31(38-29)37-23-7-9-28(27(33)15-23)40-12-11-35-16-19(40)2;;/h3-14,17-19,30H,15-16,20-21H2,1-2H3,(H,42,43,45);4-5,8-9,14-18,20,24,36H,6-7,10-13,19H2,1-3H3,(H,39,41,42);4,6,9-13,17-18,22,26H,3,5,7-8,14-16,19-20H2,1-2H3,(H,34,35,37);2-6,8,14-17,22,37H,7,9-13,18H2,1H3,(H,38,40,41);4-10,13-15,17-19,35H,3,11-12,16H2,1-2H3,(H,36,37,38);2*1H2
• InChIKey: LRHBQIOJPPDOMH-UHFFFAOYSA-N
• XLogP: 26.78
• TPSA: 568.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 51
• Rotatable Bonds: 33
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3168.06
LogP ≤ 5	26.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The IUPAC name of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate (CID 159424582) is 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate.

What is the SMILES notation for 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The canonical SMILES for 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate is CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc21.CSN1CCC(n2c(=O)c(-c3cnc(-c4cnccn4)nc3C)cc3cnc(Nc4ccc(N5CCNC(C)C5)c(F)c4)nc32)CC1.Cc1cnc(-c2ccccn2)nc1-c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1sc(-c2cccn2C)nc1-c1cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc2n(CC2CC2)c1=O.Cn1nccc1-c1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)nc3n(C3CCOC3)c2=O)c(Cl)c1.O.O.

What is the InChIKey of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The InChIKey is LRHBQIOJPPDOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31F3N8OS.C33H36FN11OS.C33H36N8OS.C32H30ClF3N8O2.C31H29F2N7O.2H2O/c1-22-18-41-32(29-9-5-6-14-40-29)44-31(22)27-17-25-19-42-35(43-26-12-10-23(11-13-26)30-21-46(2)15-16-49-30)45-33(25)47(34(27)48)20-24-7-3-4-8-28(24)36(37,38)39;1-20-19-43(13-10-36-20)29-5-4-23(15-27(29)34)41-33-39-16-22-14-25(26-17-38-30(40-21(26)2)28-18-35-8-9-37-28)32(46)45(31(22)42-33)24-6-11-44(47-3)12-7-24;1-21-29(36-31(43-21)28-6-4-13-38(28)2)27-17-23-18-34-33(37-30(23)41(32(27)42)19-22-7-8-22)35-24-9-11-25(12-10-24)40-16-15-39-14-3-5-26(39)20-40;1-42-27(6-8-39-42)19-2-4-23(26(33)15-19)24-14-20-17-38-31(41-29(20)44(30(24)45)22-7-13-46-18-22)40-21-3-5-28(25(16-21)32(34,35)36)43-11-9-37-10-12-43;1-3-39-29-22(13-25(30(39)41)24-8-6-20(14-26(24)32)21-5-4-10-34-17-21)18-36-31(38-29)37-23-7-9-28(27(33)15-23)40-12-11-35-16-19(40)2;;/h3-14,17-19,30H,15-16,20-21H2,1-2H3,(H,42,43,45);4-5,8-9,14-18,20,24,36H,6-7,10-13,19H2,1-3H3,(H,39,41,42);4,6,9-13,17-18,22,26H,3,5,7-8,14-16,19-20H2,1-2H3,(H,34,35,37);2-6,8,14-17,22,37H,7,9-13,18H2,1H3,(H,38,40,41);4-10,13-15,17-19,35H,3,11-12,16H2,1-2H3,(H,36,37,38);2*1H2.

What are the key properties of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate has a molecular weight of 3168.06 g/mol, XLogP of 26.78, 33 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-(cyclopropylmethyl)-6-[5-methyl-2-(1-methylpyrrol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-8-(oxolan-3-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfanylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;dihydrate is sourced from PubChem (CID 159424582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).