6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide

C99H103Cl3F4N20O7 — CID 160829533

About 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 160829533) has the molecular formula C99H103Cl3F4N20O7 and a molecular weight of 1867.40 g/mol. Its IUPAC name is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide
• PubChem CID: 160829533
• Molecular Formula: C99H103Cl3F4N20O7
• Molecular Weight: 1867.40 g/mol
• Exact Mass: 1864.73
• IUPAC Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5cn[nH]c45)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4NC(=O)C(F)(F)F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C34H37ClFN5O2.C33H33ClF3N7O3.C32H33ClN8O2/c1-8-29(42)39-17-22(7)40(18-21(39)6)32-26-16-27(35)30(25-12-9-10-15-28(25)36)37-33(26)41(34(43)38-32)31-23(19(2)3)13-11-14-24(31)20(4)5;1-7-25(45)42-15-20(6)43(16-19(42)5)29-22-14-23(34)27(21-10-8-9-11-24(21)39-31(46)33(35,36)37)40-30(22)44(32(47)41-29)28-18(4)12-13-38-26(28)17(2)3;1-7-25(42)39-15-20(6)40(16-19(39)5)30-23-13-24(33)28(22-10-8-9-21-14-35-38-27(21)22)36-31(23)41(32(43)37-30)29-18(4)11-12-34-26(29)17(2)3/h8-16,19-22H,1,17-18H2,2-7H3;7-14,17,19-20H,1,15-16H2,2-6H3,(H,39,46);7-14,17,19-20H,1,15-16H2,2-6H3,(H,35,38)
• InChIKey: SGPQJSAJTQUOIX-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 297.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1867.40
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide?

The IUPAC name of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide (CID 160829533) is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cccc5cn[nH]c45)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4NC(=O)C(F)(F)F)c(Cl)cc23)CC1C.

What is the InChIKey of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide?

The InChIKey is SGPQJSAJTQUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClFN5O2.C33H33ClF3N7O3.C32H33ClN8O2/c1-8-29(42)39-17-22(7)40(18-21(39)6)32-26-16-27(35)30(25-12-9-10-15-28(25)36)37-33(26)41(34(43)38-32)31-23(19(2)3)13-11-14-24(31)20(4)5;1-7-25(45)42-15-20(6)43(16-19(42)5)29-22-14-23(34)27(21-10-8-9-11-24(21)39-31(46)33(35,36)37)40-30(22)44(32(47)41-29)28-18(4)12-13-38-26(28)17(2)3;1-7-25(42)39-15-20(6)40(16-19(39)5)30-23-13-24(33)28(22-10-8-9-21-14-35-38-27(21)22)36-31(23)41(32(43)37-30)29-18(4)11-12-34-26(29)17(2)3/h8-16,19-22H,1,17-18H2,2-7H3;7-14,17,19-20H,1,15-16H2,2-6H3,(H,39,46);7-14,17,19-20H,1,15-16H2,2-6H3,(H,35,38).

What are the key properties of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide?

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 1867.40 g/mol, XLogP of 18.55, 17 rotatable bonds, 2 hydrogen bond donors, and 22 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-[2,6-di(propan-2-yl)phenyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;N-[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]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 160829533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).