6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C117H113Cl4F9N26O9 — CID 161284292

About 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 161284292) has the molecular formula C117H113Cl4F9N26O9 and a molecular weight of 2340.16 g/mol. Its IUPAC name is 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 161284292
• Molecular Formula: C117H113Cl4F9N26O9
• Molecular Weight: 2340.16 g/mol
• Exact Mass: 2336.78
• IUPAC Name: 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-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(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4cc(C(C)(F)F)nn4C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3nccnc3CC)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1
• InChI: InChI=1S/2C30H28ClF3N6O2.C30H32ClF2N7O2.C27H25ClFN7O3/c2*1-5-23(41)38-12-13-39(22(15-38)27(33)34)28-19-14-20(31)25(18-8-6-7-9-21(18)32)36-29(19)40(30(42)37-28)26-17(4)10-11-35-24(26)16(2)3;1-7-25(41)38-12-13-39(18(4)16-38)27-20-14-21(31)26(23-15-24(30(5,32)33)36-37(23)6)34-28(20)40(29(42)35-27)22-11-9-8-10-19(22)17(2)3;1-4-19-26(31-10-9-30-19)36-25-16(13-17(28)23(32-25)22-18(29)7-6-8-20(22)37)24(33-27(36)39)35-12-11-34(14-15(35)3)21(38)5-2/h2*5-11,14,16,22,27H,1,12-13,15H2,2-4H3;7-11,14-15,17-18H,1,12-13,16H2,2-6H3;5-10,13,15,37H,2,4,11-12,14H2,1,3H3/t2*22-;18-;15-/m1000/s1
• InChIKey: VFMVEIDZEKJMTF-NSFMSBAJSA-N
• XLogP: 19.88
• TPSA: 374.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2340.16
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 161284292) is 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-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(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C(F)F)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4cc(C(C)(F)F)nn4C)c(Cl)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3nccnc3CC)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1.

What is the InChIKey of 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is VFMVEIDZEKJMTF-NSFMSBAJSA-N. The full InChI is InChI=1S/2C30H28ClF3N6O2.C30H32ClF2N7O2.C27H25ClFN7O3/c2*1-5-23(41)38-12-13-39(22(15-38)27(33)34)28-19-14-20(31)25(18-8-6-7-9-21(18)32)36-29(19)40(30(42)37-28)26-17(4)10-11-35-24(26)16(2)3;1-7-25(41)38-12-13-39(18(4)16-38)27-20-14-21(31)26(23-15-24(30(5,32)33)36-37(23)6)34-28(20)40(29(42)35-27)22-11-9-8-10-19(22)17(2)3;1-4-19-26(31-10-9-30-19)36-25-16(13-17(28)23(32-25)22-18(29)7-6-8-20(22)37)24(33-27(36)39)35-12-11-34(14-15(35)3)21(38)5-2/h2*5-11,14,16,22,27H,1,12-13,15H2,2-4H3;7-11,14-15,17-18H,1,12-13,16H2,2-6H3;5-10,13,15,37H,2,4,11-12,14H2,1,3H3/t2*22-;18-;15-/m1000/s1.

What are the key properties of 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2340.16 g/mol, XLogP of 19.88, 23 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2S)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-[(2R)-2-(difluoromethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(3-ethylpyrazin-2-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 161284292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).