7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

C107H123ClF5N27O6 — CID 159633701

About 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159633701) has the molecular formula C107H123ClF5N27O6 and a molecular weight of 2013.79 g/mol. Its IUPAC name is 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159633701
• Molecular Formula: C107H123ClF5N27O6
• Molecular Weight: 2013.79 g/mol
• Exact Mass: 2011.98
• IUPAC Name: 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)nc(C4CC4)nc3C(C)C)c3nc(-c4c(N)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C(C)C)nc(N4CCNCC4)nc3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCN(C)CC4)nc3C3CC3)c3nc(-c4ccccc4F)c(F)cc23)C[C@H]1C
• InChI: InChI=1S/C37H41F2N9O2.C36H44ClFN10O2.C34H38F2N8O2/c1-5-29(49)46-19-22(3)47(20-21(46)2)34-26-18-28(39)32(25-8-6-7-9-27(25)38)40-35(26)48(37(50)43-34)33-30(23-10-11-23)41-36(42-31(33)24-12-13-24)45-16-14-44(4)15-17-45;1-8-27(49)46-17-22(7)47(18-21(46)6)33-23-16-24(37)31(28-25(38)10-9-11-26(28)39)41-34(23)48(36(50)44-33)32-29(19(2)3)42-35(43-30(32)20(4)5)45-14-12-40-13-15-45;1-7-25(45)42-13-14-43(19(6)16-42)32-21-15-23(36)29(26-22(35)9-8-10-24(26)37)40-33(21)44(34(46)41-32)30-27(17(2)3)38-31(20-11-12-20)39-28(30)18(4)5/h5-9,18,21-24H,1,10-17,19-20H2,2-4H3;8-11,16,19-22,40H,1,12-15,17-18,39H2,2-7H3;7-10,15,17-20H,1,11-14,16,37H2,2-6H3/t2*21-,22+;19-/m110/s1
• InChIKey: MPLSCAMITYPPOE-DQTCRUGRSA-N
• XLogP: 14.96
• TPSA: 365.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.79
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (CID 159633701) is 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)nc(C4CC4)nc3C(C)C)c3nc(-c4c(N)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C(C)C)nc(N4CCNCC4)nc3C(C)C)c3nc(-c4c(N)cccc4F)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCN(C)CC4)nc3C3CC3)c3nc(-c4ccccc4F)c(F)cc23)C[C@H]1C.

What is the InChIKey of 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is MPLSCAMITYPPOE-DQTCRUGRSA-N. The full InChI is InChI=1S/C37H41F2N9O2.C36H44ClFN10O2.C34H38F2N8O2/c1-5-29(49)46-19-22(3)47(20-21(46)2)34-26-18-28(39)32(25-8-6-7-9-27(25)38)40-35(26)48(37(50)43-34)33-30(23-10-11-23)41-36(42-31(33)24-12-13-24)45-16-14-44(4)15-17-45;1-8-27(49)46-17-22(7)47(18-21(46)6)33-23-16-24(37)31(28-25(38)10-9-11-26(28)39)41-34(23)48(36(50)44-33)32-29(19(2)3)42-35(43-30(32)20(4)5)45-14-12-40-13-15-45;1-7-25(45)42-13-14-43(19(6)16-42)32-21-15-23(36)29(26-22(35)9-8-10-24(26)37)40-33(21)44(34(46)41-32)30-27(17(2)3)38-31(20-11-12-20)39-28(30)18(4)5/h5-9,18,21-24H,1,10-17,19-20H2,2-4H3;8-11,16,19-22,40H,1,12-15,17-18,39H2,2-7H3;7-10,15,17-20H,1,11-14,16,37H2,2-6H3/t2*21-,22+;19-/m110/s1.

What are the key properties of 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?

7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2013.79 g/mol, XLogP of 14.96, 21 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2-piperazin-1-yl-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-[2-cyclopropyl-4,6-di(propan-2-yl)pyrimidin-5-yl]-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-[4,6-dicyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159633701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).