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

C110H128F6N30O6 — CID 158147943

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

7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 158147943) has the molecular formula C110H128F6N30O6 and a molecular weight of 2080.43 g/mol. Its IUPAC name is 7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 158147943
• Molecular Formula: C110H128F6N30O6
• Molecular Weight: 2080.43 g/mol
• Exact Mass: 2079.05
• IUPAC Name: 7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C(C)C)nc(N4CCN(C)CC4)nc3C(C)C)c3nc(-c4c(N)cccc4F)c(F)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCN(C)CC4)nc3C3CC3)c3nc(-c4c(N)cccc4F)c(F)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C4CC4)nc(N4CCNCC4)nc3C3CC3)c3nc(-c4c(N)cccc4F)c(F)cc23)C[C@H]1C
• InChI: InChI=1S/C37H42F2N10O2.C37H46F2N10O2.C36H40F2N10O2/c1-5-28(50)47-18-21(3)48(19-20(47)2)34-24-17-26(39)32(29-25(38)7-6-8-27(29)40)41-35(24)49(37(51)44-34)33-30(22-9-10-22)42-36(43-31(33)23-11-12-23)46-15-13-45(4)14-16-46;1-9-28(50)47-18-23(7)48(19-22(47)6)34-24-17-26(39)32(29-25(38)11-10-12-27(29)40)41-35(24)49(37(51)44-34)33-30(20(2)3)42-36(43-31(33)21(4)5)46-15-13-45(8)14-16-46;1-4-27(49)46-17-20(3)47(18-19(46)2)33-23-16-25(38)31(28-24(37)6-5-7-26(28)39)41-34(23)48(36(50)44-33)32-29(21-8-9-21)42-35(43-30(32)22-10-11-22)45-14-12-40-13-15-45/h5-8,17,20-23H,1,9-16,18-19,40H2,2-4H3;9-12,17,20-23H,1,13-16,18-19,40H2,2-8H3;4-7,16,19-22,40H,1,8-15,17-18,39H2,2-3H3/t20-,21+;22-,23+;19-,20+/m111/s1
• InChIKey: FUSZXHGLTFZKGC-RPESPPFKSA-N
• XLogP: 12.80
• TPSA: 397.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.43
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

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

The IUPAC name of 7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one (CID 158147943) is 7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one.

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

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

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

The InChIKey is FUSZXHGLTFZKGC-RPESPPFKSA-N. The full InChI is InChI=1S/C37H42F2N10O2.C37H46F2N10O2.C36H40F2N10O2/c1-5-28(50)47-18-21(3)48(19-20(47)2)34-24-17-26(39)32(29-25(38)7-6-8-27(29)40)41-35(24)49(37(51)44-34)33-30(22-9-10-22)42-36(43-31(33)23-11-12-23)46-15-13-45(4)14-16-46;1-9-28(50)47-18-23(7)48(19-22(47)6)34-24-17-26(39)32(29-25(38)11-10-12-27(29)40)41-35(24)49(37(51)44-34)33-30(20(2)3)42-36(43-31(33)21(4)5)46-15-13-45(8)14-16-46;1-4-27(49)46-17-20(3)47(18-19(46)2)33-23-16-25(38)31(28-24(37)6-5-7-26(28)39)41-34(23)48(36(50)44-33)32-29(21-8-9-21)42-35(43-30(32)22-10-11-22)45-14-12-40-13-15-45/h5-8,17,20-23H,1,9-16,18-19,40H2,2-4H3;9-12,17,20-23H,1,13-16,18-19,40H2,2-8H3;4-7,16,19-22,40H,1,8-15,17-18,39H2,2-3H3/t20-,21+;22-,23+;19-,20+/m111/s1.

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

7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2080.43 g/mol, XLogP of 12.80, 21 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-6-fluorophenyl)-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-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-piperazin-1-ylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one;7-(2-amino-6-fluorophenyl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-4,6-di(propan-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 158147943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).