7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C96H94F6N22O7 — CID 163696375

About 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 163696375) has the molecular formula C96H94F6N22O7 and a molecular weight of 1781.94 g/mol. Its IUPAC name is 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 163696375
• Molecular Formula: C96H94F6N22O7
• Molecular Weight: 1781.94 g/mol
• Exact Mass: 1780.76
• IUPAC Name: 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(C)nc3C3CC3)c3nc(-c4c(N)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(C)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(C)nc3C3CC3)c3nc(-c4ccccc4F)c(F)cc23)[C@@H](C)C1
• InChI: InChI=1S/C32H32F2N8O2.C32H31F2N7O3.C32H31F2N7O2/c1-4-24(43)40-12-13-41(16(2)15-40)30-20-14-22(34)28(25-21(33)6-5-7-23(25)35)38-31(20)42(32(44)39-30)29-26(18-8-9-18)36-17(3)37-27(29)19-10-11-19;1-4-24(43)39-12-13-40(16(2)15-39)30-20-14-22(34)28(25-21(33)6-5-7-23(25)42)37-31(20)41(32(44)38-30)29-26(18-8-9-18)35-17(3)36-27(29)19-10-11-19;1-4-25(42)39-13-14-40(17(2)16-39)30-22-15-24(34)28(21-7-5-6-8-23(21)33)37-31(22)41(32(43)38-30)29-26(19-9-10-19)35-18(3)36-27(29)20-11-12-20/h4-7,14,16,18-19H,1,8-13,15,35H2,2-3H3;4-7,14,16,18-19,42H,1,8-13,15H2,2-3H3;4-8,15,17,19-20H,1,9-14,16H2,2-3H3/t2*16-;17-/m000/s1
• InChIKey: JXICRAKMCRGVMY-WOCUFWBTSA-N
• XLogP: 13.69
• TPSA: 337.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.94
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

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-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 163696375) is 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(C)nc3C3CC3)c3nc(-c4c(N)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(C)nc3C3CC3)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C4CC4)nc(C)nc3C3CC3)c3nc(-c4ccccc4F)c(F)cc23)[C@@H](C)C1.

What is the InChIKey of 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is JXICRAKMCRGVMY-WOCUFWBTSA-N. The full InChI is InChI=1S/C32H32F2N8O2.C32H31F2N7O3.C32H31F2N7O2/c1-4-24(43)40-12-13-41(16(2)15-40)30-20-14-22(34)28(25-21(33)6-5-7-23(25)35)38-31(20)42(32(44)39-30)29-26(18-8-9-18)36-17(3)37-27(29)19-10-11-19;1-4-24(43)39-12-13-40(16(2)15-39)30-20-14-22(34)28(25-21(33)6-5-7-23(25)42)37-31(20)41(32(44)38-30)29-26(18-8-9-18)35-17(3)36-27(29)19-10-11-19;1-4-25(42)39-13-14-40(17(2)16-39)30-22-15-24(34)28(21-7-5-6-8-23(21)33)37-31(22)41(32(43)38-30)29-26(19-9-10-19)35-18(3)36-27(29)20-11-12-20/h4-7,14,16,18-19H,1,8-13,15,35H2,2-3H3;4-7,14,16,18-19,42H,1,8-13,15H2,2-3H3;4-8,15,17,19-20H,1,9-14,16H2,2-3H3/t2*16-;17-/m000/s1.

What are the key properties of 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1781.94 g/mol, XLogP of 13.69, 18 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-2-methylpyrimidin-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-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(4,6-dicyclopropyl-2-methylpyrimidin-5-yl)-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 163696375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).