6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide

C97H106Cl3F3N20O10S2 — CID 159098499

About 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide (PubChem CID 159098499) has the molecular formula C97H106Cl3F3N20O10S2 and a molecular weight of 1939.53 g/mol. Its IUPAC name is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide.

Molecular Properties

• Compound Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide
• PubChem CID: 159098499
• Molecular Formula: C97H106Cl3F3N20O10S2
• Molecular Weight: 1939.53 g/mol
• Exact Mass: 1936.69
• IUPAC Name: 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4C(F)(F)F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4NS(C)(=O)=O)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4S(N)(=O)=O)c(Cl)cc23)CC1C
• InChI: InChI=1S/C34H36ClF3N6O2.C32H36ClN7O4S.C31H34ClN7O4S/c1-8-27(45)42-16-21(7)43(17-20(42)6)31-24-15-26(35)29(23-11-9-10-12-25(23)34(36,37)38)40-32(24)44(33(46)41-31)30-22(18(2)3)13-14-39-28(30)19(4)5;1-8-26(41)38-16-21(6)39(17-20(38)5)30-23-15-24(33)28(22-11-9-10-12-25(22)37-45(7,43)44)35-31(23)40(32(42)36-30)29-19(4)13-14-34-27(29)18(2)3;1-7-25(40)37-15-20(6)38(16-19(37)5)29-22-14-23(32)27(21-10-8-9-11-24(21)44(33,42)43)35-30(22)39(31(41)36-29)28-18(4)12-13-34-26(28)17(2)3/h8-15,18-21H,1,16-17H2,2-7H3;8-15,18,20-21,37H,1,16-17H2,2-7H3;7-14,17,19-20H,1,15-16H2,2-6H3,(H2,33,42,43)
• InChIKey: KCYYASPAVJBELD-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 358.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.53
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

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-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide?

The IUPAC name of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide (CID 159098499) is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide.

What is the SMILES notation for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide?

The canonical SMILES for 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4C(F)(F)F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4NS(C)(=O)=O)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4S(N)(=O)=O)c(Cl)cc23)CC1C.

What is the InChIKey of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide?

The InChIKey is KCYYASPAVJBELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClF3N6O2.C32H36ClN7O4S.C31H34ClN7O4S/c1-8-27(45)42-16-21(7)43(17-20(42)6)31-24-15-26(35)29(23-11-9-10-12-25(23)34(36,37)38)40-32(24)44(33(46)41-31)30-22(18(2)3)13-14-39-28(30)19(4)5;1-8-26(41)38-16-21(6)39(17-20(38)5)30-23-15-24(33)28(22-11-9-10-12-25(22)37-45(7,43)44)35-31(23)40(32(42)36-30)29-19(4)13-14-34-27(29)18(2)3;1-7-25(40)37-15-20(6)38(16-19(37)5)29-22-14-23(32)27(21-10-8-9-11-24(21)44(33,42)43)35-30(22)39(31(41)36-29)28-18(4)12-13-34-26(28)17(2)3/h8-15,18-21H,1,16-17H2,2-7H3;8-15,18,20-21,37H,1,16-17H2,2-7H3;7-14,17,19-20H,1,15-16H2,2-6H3,(H2,33,42,43).

What are the key properties of 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide?

6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide has a molecular weight of 1939.53 g/mol, XLogP of 16.47, 19 rotatable bonds, 2 hydrogen bond donors, and 25 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-[2,4-di(propan-2-yl)-3-pyridinyl]-7-[2-(trifluoromethyl)phenyl]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]benzenesulfonamide;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]methanesulfonamide is sourced from PubChem (CID 159098499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).