6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C96H99Cl2F3N20O8 — CID 162132379

About 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 162132379) has the molecular formula C96H99Cl2F3N20O8 and a molecular weight of 1788.88 g/mol. Its IUPAC name is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 162132379
• Molecular Formula: C96H99Cl2F3N20O8
• Molecular Weight: 1788.88 g/mol
• Exact Mass: 1786.73
• IUPAC Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(F)ccc4F)c(F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5c4NC(=O)C5)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4C(N)=O)c(Cl)cc23)CC1C
• InChI: InChI=1S/C33H34ClN7O3.C32H34ClN7O3.C31H31F3N6O2/c1-7-26(43)39-15-20(6)40(16-19(39)5)31-23-14-24(34)29(22-10-8-9-21-13-25(42)36-28(21)22)37-32(23)41(33(44)38-31)30-18(4)11-12-35-27(30)17(2)3;1-7-25(41)38-15-20(6)39(16-19(38)5)30-23-14-24(33)27(21-10-8-9-11-22(21)29(34)42)36-31(23)40(32(43)37-30)28-18(4)12-13-35-26(28)17(2)3;1-7-25(41)38-14-19(6)39(15-18(38)5)29-22-13-24(34)27(21-12-20(32)8-9-23(21)33)36-30(22)40(31(42)37-29)28-17(4)10-11-35-26(28)16(2)3/h7-12,14,17,19-20H,1,13,15-16H2,2-6H3,(H,36,42);7-14,17,19-20H,1,15-16H2,2-6H3,(H2,34,42);7-13,16,18-19H,1,14-15H2,2-6H3
• InChIKey: ZIVGLCBHOBTBQI-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 324.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.88
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 162132379) is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(F)ccc4F)c(F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5c4NC(=O)C5)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4C(N)=O)c(Cl)cc23)CC1C.

What is the InChIKey of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is ZIVGLCBHOBTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN7O3.C32H34ClN7O3.C31H31F3N6O2/c1-7-26(43)39-15-20(6)40(16-19(39)5)31-23-14-24(34)29(22-10-8-9-21-13-25(42)36-28(21)22)37-32(23)41(33(44)38-31)30-18(4)11-12-35-27(30)17(2)3;1-7-25(41)38-15-20(6)39(16-19(38)5)30-23-14-24(33)27(21-10-8-9-11-22(21)29(34)42)36-31(23)40(32(43)37-30)28-18(4)12-13-35-26(28)17(2)3;1-7-25(41)38-14-19(6)39(15-18(38)5)29-22-13-24(34)27(21-12-20(32)8-9-23(21)33)36-30(22)40(31(42)37-29)28-17(4)10-11-35-26(28)16(2)3/h7-12,14,17,19-20H,1,13,15-16H2,2-6H3,(H,36,42);7-14,17,19-20H,1,15-16H2,2-6H3,(H2,34,42);7-13,16,18-19H,1,14-15H2,2-6H3.

What are the key properties of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1788.88 g/mol, XLogP of 14.98, 16 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-oxo-1,3-dihydroindol-7-yl)pyrido[2,3-d]pyrimidin-2-one;2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]benzamide;7-(2,5-difluorophenyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 162132379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).