2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-(5-methyl-2-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane

C165H200ClF5N42O7S2 — CID 161341038

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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-(5-methyl-2-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane (PubChem CID 161341038) has the molecular formula C165H200ClF5N42O7S2 and a molecular weight of 3078.28 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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane.

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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane
• PubChem CID: 161341038
• Molecular Formula: C165H200ClF5N42O7S2
• Molecular Weight: 3078.28 g/mol
• Exact Mass: 3075.56
• 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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane
• SMILES: C.C.CCn1c(=O)c(-c2nc(C3CCCNC3)ncc2C)cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CCN(C)C)c2=O)c(C2CCCN(C)C2)c1.Cc1nc(C2CCCCN2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.Cc1nc(C2CCNCC2)ncc1-c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(C(C)C)c1=O.O=c1c(-c2ccc(-c3nncs3)cc2F)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1CC1CC1
• InChI: InChI=1S/C35H45N7O.C34H42ClN9O3S.C32H40FN9O.C32H39N9O.C30H26F4N8OS.2CH4/c1-24-7-12-30(31(20-24)27-6-5-17-41(4)23-27)32-21-28-22-37-35(39-33(28)42(34(32)43)19-18-40(2)3)38-29-10-8-25(9-11-29)26-13-15-36-16-14-26;1-22-26(7-8-30(39-22)29-5-3-4-12-37-29)27-19-23-21-38-34(40-24-6-9-31(28(35)20-24)42-17-13-36-14-18-42)41-32(23)44(33(27)45)25-10-15-43(16-11-25)48(2,46)47;1-18(2)42-30-23(12-25(31(42)43)26-15-35-29(38-21(26)5)22-8-10-34-11-9-22)14-36-32(40-30)39-24-6-7-28(27(33)13-24)41-16-19(3)37-20(4)17-41;1-3-41-30-23(16-27(31(41)42)28-21(2)17-34-29(37-28)22-6-4-12-33-18-22)19-35-32(38-30)36-24-8-10-25(11-9-24)40-15-14-39-13-5-7-26(39)20-40;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;;/h7-12,20-22,26-27,36H,5-6,13-19,23H2,1-4H3,(H,37,38,39);6-9,19-21,25,29,36-37H,3-5,10-18H2,1-2H3,(H,38,40,41);6-7,12-15,18-20,22,34,37H,8-11,16-17H2,1-5H3,(H,36,39,40);8-11,16-17,19,22,26,33H,3-7,12-15,18,20H2,1-2H3,(H,35,36,38);3-6,11-14,16-17,35H,1-2,7-10,15H2,(H,36,38,39);2*1H4/t;;19-,20+
• InChIKey: VMQXUUVGHLCFQE-MYIYLAKKSA-N
• XLogP: 25.44
• TPSA: 533.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 49
• Rotatable Bonds: 34
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3078.28
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	49

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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane?

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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane (CID 161341038) 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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane.

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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane?

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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane is C.C.CCn1c(=O)c(-c2nc(C3CCCNC3)ncc2C)cc2cnc(Nc3ccc(N4CCN5CCCC5C4)cc3)nc21.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNCC5)cc4)nc3n(CCN(C)C)c2=O)c(C2CCCN(C)C2)c1.Cc1nc(C2CCCCN2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(C2CCN(S(C)(=O)=O)CC2)c1=O.Cc1nc(C2CCNCC2)ncc1-c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(C(C)C)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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane?

The InChIKey is VMQXUUVGHLCFQE-MYIYLAKKSA-N. The full InChI is InChI=1S/C35H45N7O.C34H42ClN9O3S.C32H40FN9O.C32H39N9O.C30H26F4N8OS.2CH4/c1-24-7-12-30(31(20-24)27-6-5-17-41(4)23-27)32-21-28-22-37-35(39-33(28)42(34(32)43)19-18-40(2)3)38-29-10-8-25(9-11-29)26-13-15-36-16-14-26;1-22-26(7-8-30(39-22)29-5-3-4-12-37-29)27-19-23-21-38-34(40-24-6-9-31(28(35)20-24)42-17-13-36-14-18-42)41-32(23)44(33(27)45)25-10-15-43(16-11-25)48(2,46)47;1-18(2)42-30-23(12-25(31(42)43)26-15-35-29(38-21(26)5)22-8-10-34-11-9-22)14-36-32(40-30)39-24-6-7-28(27(33)13-24)41-16-19(3)37-20(4)17-41;1-3-41-30-23(16-27(31(41)42)28-21(2)17-34-29(37-28)22-6-4-12-33-18-22)19-35-32(38-30)36-24-8-10-25(11-9-24)40-15-14-39-13-5-7-26(39)20-40;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;;/h7-12,20-22,26-27,36H,5-6,13-19,23H2,1-4H3,(H,37,38,39);6-9,19-21,25,29,36-37H,3-5,10-18H2,1-2H3,(H,38,40,41);6-7,12-15,18-20,22,34,37H,8-11,16-17H2,1-5H3,(H,36,39,40);8-11,16-17,19,22,26,33H,3-7,12-15,18,20H2,1-2H3,(H,35,36,38);3-6,11-14,16-17,35H,1-2,7-10,15H2,(H,36,38,39);2*1H4/t;;19-,20+;;;;.

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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane?

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-(5-methyl-2-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane has a molecular weight of 3078.28 g/mol, XLogP of 25.44, 34 rotatable bonds, 12 hydrogen bond donors, and 49 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-piperidin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-methyl-6-piperidin-2-yl-3-pyridinyl)-8-(1-methylsulfonylpiperidin-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-3-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-piperidin-4-ylpyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane is sourced from PubChem (CID 161341038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).