6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate

C197H212F3N51O11S2 — CID 158803126

About 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate

6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate (PubChem CID 158803126) has the molecular formula C197H212F3N51O11S2 and a molecular weight of 3591.34 g/mol. Its IUPAC name is 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate.

Molecular Properties

• Compound Name: 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate
• PubChem CID: 158803126
• Molecular Formula: C197H212F3N51O11S2
• Molecular Weight: 3591.34 g/mol
• Exact Mass: 3588.70
• IUPAC Name: 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate
• SMILES: C/N=C(\C=CN)c1cn(C)c(-c2cc3cnc(Nc4ccc(C5CCCCC5)cc4)nc3n(CCN3CCOCC3)c2=O)n1.C/N=C/C(=CN)c1ncc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cn1.CSN(C)CCn1c(=O)c(-c2ncn(-c3cncn3C)c2C)cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc21.Cc1cc(-c2nccn2C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cn1cccc1-c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(CC3CCOCC3)c2=O)nc1.O.O.O=c1c(-c2ccc(-c3ccnnc3)cc2)cc2cnc(Nc3ccc(C4CCCC4)cc3)nc2n1Cc1nccs1
• InChI: InChI=1S/C36H33F3N8O.C34H35N7O2.C33H41N9O2.C32H36N10O2.C32H27N7OS.C30H36N10OS.2H2O/c1-23-19-24(32-41-15-16-45(32)2)7-12-29(23)30-20-26-21-42-35(43-27-8-10-28(11-9-27)46-17-13-40-14-18-46)44-33(26)47(34(30)48)22-25-5-3-4-6-31(25)36(37,38)39;1-40-16-2-3-31(40)26-6-9-30(36-20-26)29-19-27-21-37-34(38-28-7-4-24(5-8-28)25-10-14-35-15-11-25)39-32(27)41(33(29)42)22-23-12-17-43-18-13-23;1-35-28(12-13-34)29-22-40(2)31(38-29)27-20-25-21-36-33(37-26-10-8-24(9-11-26)23-6-4-3-5-7-23)39-30(25)42(32(27)43)15-14-41-16-18-44-19-17-41;1-34-16-24(15-33)29-36-18-25(19-37-29)27-14-23-17-38-32(39-26-6-4-21(5-7-26)22-8-10-35-11-9-22)40-30(23)42(31(27)44)20-28(43)41-12-2-3-13-41;40-31-28(24-7-5-23(6-8-24)25-13-14-35-36-19-25)17-26-18-34-32(38-30(26)39(31)20-29-33-15-16-41-29)37-27-11-9-22(10-12-27)21-3-1-2-4-21;1-20-27(33-19-40(20)26-16-31-18-37(26)3)25-14-23-15-32-30(35-28(23)39(29(25)41)13-12-38(4)42-5)34-24-8-6-21(7-9-24)22-10-11-36(2)17-22;;/h3-12,15-16,19-21,40H,13-14,17-18,22H2,1-2H3,(H,42,43,44);2-10,16,19-21,23,35H,11-15,17-18,22H2,1H3,(H,37,38,39);8-13,20-23H,3-7,14-19,34H2,1-2H3,(H,36,37,39);4-7,14-19,22,35H,2-3,8-13,20,33H2,1H3,(H,38,39,40);5-19,21H,1-4,20H2,(H,34,37,38);6-9,14-16,18-19,22H,10-13,17H2,1-5H3,(H,32,34,35);2*1H2/b;;13-12?,35-28+;24-15?,34-16+
• InChIKey: RROKXBWRWPVVCM-JHFHMPCISA-N
• XLogP: 28.31
• TPSA: 739.99 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 61
• Rotatable Bonds: 47
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3591.34
LogP ≤ 5	28.31
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	61

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The IUPAC name of 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate (CID 158803126) is 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate.

What is the SMILES notation for 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The canonical SMILES for 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate is C/N=C(\C=CN)c1cn(C)c(-c2cc3cnc(Nc4ccc(C5CCCCC5)cc4)nc3n(CCN3CCOCC3)c2=O)n1.C/N=C/C(=CN)c1ncc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cn1.CSN(C)CCn1c(=O)c(-c2ncn(-c3cncn3C)c2C)cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc21.Cc1cc(-c2nccn2C)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cn1cccc1-c1ccc(-c2cc3cnc(Nc4ccc(C5=CCNCC5)cc4)nc3n(CC3CCOCC3)c2=O)nc1.O.O.O=c1c(-c2ccc(-c3ccnnc3)cc2)cc2cnc(Nc3ccc(C4CCCC4)cc3)nc2n1Cc1nccs1.

What is the InChIKey of 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The InChIKey is RROKXBWRWPVVCM-JHFHMPCISA-N. The full InChI is InChI=1S/C36H33F3N8O.C34H35N7O2.C33H41N9O2.C32H36N10O2.C32H27N7OS.C30H36N10OS.2H2O/c1-23-19-24(32-41-15-16-45(32)2)7-12-29(23)30-20-26-21-42-35(43-27-8-10-28(11-9-27)46-17-13-40-14-18-46)44-33(26)47(34(30)48)22-25-5-3-4-6-31(25)36(37,38)39;1-40-16-2-3-31(40)26-6-9-30(36-20-26)29-19-27-21-37-34(38-28-7-4-24(5-8-28)25-10-14-35-15-11-25)39-32(27)41(33(29)42)22-23-12-17-43-18-13-23;1-35-28(12-13-34)29-22-40(2)31(38-29)27-20-25-21-36-33(37-26-10-8-24(9-11-26)23-6-4-3-5-7-23)39-30(25)42(32(27)43)15-14-41-16-18-44-19-17-41;1-34-16-24(15-33)29-36-18-25(19-37-29)27-14-23-17-38-32(39-26-6-4-21(5-7-26)22-8-10-35-11-9-22)40-30(23)42(31(27)44)20-28(43)41-12-2-3-13-41;40-31-28(24-7-5-23(6-8-24)25-13-14-35-36-19-25)17-26-18-34-32(38-30(26)39(31)20-29-33-15-16-41-29)37-27-11-9-22(10-12-27)21-3-1-2-4-21;1-20-27(33-19-40(20)26-16-31-18-37(26)3)25-14-23-15-32-30(35-28(23)39(29(25)41)13-12-38(4)42-5)34-24-8-6-21(7-9-24)22-10-11-36(2)17-22;;/h3-12,15-16,19-21,40H,13-14,17-18,22H2,1-2H3,(H,42,43,44);2-10,16,19-21,23,35H,11-15,17-18,22H2,1H3,(H,37,38,39);8-13,20-23H,3-7,14-19,34H2,1-2H3,(H,36,37,39);4-7,14-19,22,35H,2-3,8-13,20,33H2,1H3,(H,38,39,40);5-19,21H,1-4,20H2,(H,34,37,38);6-9,14-16,18-19,22H,10-13,17H2,1-5H3,(H,32,34,35);2*1H2/b;;13-12?,35-28+;24-15?,34-16+;;;;.

What are the key properties of 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate?

6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate has a molecular weight of 3591.34 g/mol, XLogP of 28.31, 47 rotatable bonds, 11 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate is sourced from PubChem (CID 158803126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).