2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C193H220F5N45O8S3 — CID 161014425

About 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161014425) has the molecular formula C193H220F5N45O8S3 and a molecular weight of 3489.38 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-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161014425
• Molecular Formula: C193H220F5N45O8S3
• Molecular Weight: 3489.38 g/mol
• Exact Mass: 3486.73
• IUPAC Name: 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2nc(C3CCN(C)C3)ncc2C)cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CCN(C)C)c2=O)c(C2CCCCN2C)c1.Cc1ccc(-c2nc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCOC4)c3=O)c(C)s2)s1.Cc1nc(C2CCCN2C)ncc1-c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(C(C)C)c1=O.Cc1nn(C2CCOCC2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCCC4)cc3)nc2n(C2CCCC2)c1=O.O=c1c(-c2ccc(-c3nncs3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1CC1CC1
• InChI: InChI=1S/C35H45N7O.C33H40N6O2.C32H40FN9O.C32H39N9O.C31H30N6O2S2.C30H26F4N8OS/c1-24-8-13-29(30(21-24)32-7-5-6-18-41(32)4)31-22-27-23-37-35(39-33(27)42(34(31)43)20-19-40(2)3)38-28-11-9-25(10-12-28)26-14-16-36-17-15-26;1-21-30(22(2)39(37-21)28-15-17-41-18-16-28)29-19-25-20-34-33(36-31(25)38(32(29)40)27-9-5-6-10-27)35-26-13-11-24(12-14-26)23-7-3-4-8-23;1-18(2)42-30-22(12-24(31(42)43)25-15-34-29(37-21(25)5)28-8-7-11-40(28)6)14-35-32(39-30)38-23-9-10-27(26(33)13-23)41-16-19(3)36-20(4)17-41;1-4-41-30-23(16-27(31(41)42)28-21(2)17-33-29(36-28)22-11-13-38(3)19-22)18-34-32(37-30)35-24-7-9-25(10-8-24)40-15-14-39-12-5-6-26(39)20-40;1-18-3-8-26(40-18)29-35-27(19(2)41-29)25-15-22-16-33-31(36-28(22)37(30(25)38)24-11-14-39-17-24)34-23-6-4-20(5-7-23)21-9-12-32-13-10-21;31-24-12-18(27-40-37-16-44-27)3-5-21(24)22-11-19-14-36-29(39-26(19)42(28(22)43)15-17-1-2-17)38-20-4-6-25(23(13-20)30(32,33)34)41-9-7-35-8-10-41/h8-13,21-23,26,32,36H,5-7,14-20H2,1-4H3,(H,37,38,39);11-14,19-20,23,27-28H,3-10,15-18H2,1-2H3,(H,34,35,36);9-10,12-15,18-20,28,36H,7-8,11,16-17H2,1-6H3,(H,35,38,39);7-10,16-18,22,26H,4-6,11-15,19-20H2,1-3H3,(H,34,35,37);3-9,15-16,24,32H,10-14,17H2,1-2H3,(H,33,34,36);3-6,11-14,16-17,35H,1-2,7-10,15H2,(H,36,38,39)/t;;19-,20+,28?
• InChIKey: TXNQRMYPLXBFTH-MZBUVMBNSA-N
• XLogP: 33.87
• TPSA: 559.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 56
• Rotatable Bonds: 39
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3489.38
LogP ≤ 5	33.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', '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-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161014425) is 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

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-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2nc(C3CCN(C)C3)ncc2C)cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CCN(C)C)c2=O)c(C2CCCCN2C)c1.Cc1ccc(-c2nc(-c3cc4cnc(Nc5ccc(C6=CCNCC6)cc5)nc4n(C4CCOC4)c3=O)c(C)s2)s1.Cc1nc(C2CCCN2C)ncc1-c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(C(C)C)c1=O.Cc1nn(C2CCOCC2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCCC4)cc3)nc2n(C2CCCC2)c1=O.O=c1c(-c2ccc(-c3nncs3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1CC1CC1.

What is the InChIKey of 2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is TXNQRMYPLXBFTH-MZBUVMBNSA-N. The full InChI is InChI=1S/C35H45N7O.C33H40N6O2.C32H40FN9O.C32H39N9O.C31H30N6O2S2.C30H26F4N8OS/c1-24-8-13-29(30(21-24)32-7-5-6-18-41(32)4)31-22-27-23-37-35(39-33(27)42(34(31)43)20-19-40(2)3)38-28-11-9-25(10-12-28)26-14-16-36-17-15-26;1-21-30(22(2)39(37-21)28-15-17-41-18-16-28)29-19-25-20-34-33(36-31(25)38(32(29)40)27-9-5-6-10-27)35-26-13-11-24(12-14-26)23-7-3-4-8-23;1-18(2)42-30-22(12-24(31(42)43)25-15-34-29(37-21(25)5)28-8-7-11-40(28)6)14-35-32(39-30)38-23-9-10-27(26(33)13-23)41-16-19(3)36-20(4)17-41;1-4-41-30-23(16-27(31(41)42)28-21(2)17-33-29(36-28)22-11-13-38(3)19-22)18-34-32(37-30)35-24-7-9-25(10-8-24)40-15-14-39-12-5-6-26(39)20-40;1-18-3-8-26(40-18)29-35-27(19(2)41-29)25-15-22-16-33-31(36-28(22)37(30(25)38)24-11-14-39-17-24)34-23-6-4-20(5-7-23)21-9-12-32-13-10-21;31-24-12-18(27-40-37-16-44-27)3-5-21(24)22-11-19-14-36-29(39-26(19)42(28(22)43)15-17-1-2-17)38-20-4-6-25(23(13-20)30(32,33)34)41-9-7-35-8-10-41/h8-13,21-23,26,32,36H,5-7,14-20H2,1-4H3,(H,37,38,39);11-14,19-20,23,27-28H,3-10,15-18H2,1-2H3,(H,34,35,36);9-10,12-15,18-20,28,36H,7-8,11,16-17H2,1-6H3,(H,35,38,39);7-10,16-18,22,26H,4-6,11-15,19-20H2,1-3H3,(H,34,35,37);3-9,15-16,24,32H,10-14,17H2,1-2H3,(H,33,34,36);3-6,11-14,16-17,35H,1-2,7-10,15H2,(H,36,38,39)/t;;19-,20+,28?;;;.

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-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3489.38 g/mol, XLogP of 33.87, 39 rotatable bonds, 10 hydrogen bond donors, and 56 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-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161014425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).