6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one

C101H113Cl2FN20O9 — CID 159223384

About 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 159223384) has the molecular formula C101H113Cl2FN20O9 and a molecular weight of 1841.05 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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159223384
• Molecular Formula: C101H113Cl2FN20O9
• Molecular Weight: 1841.05 g/mol
• Exact Mass: 1838.84
• 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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4C)c(F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4NC(=O)C(C)(C)C)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4[N+](=O)[O-])c(Cl)cc23)CC1C
• InChI: InChI=1S/C36H42ClN7O3.C34H39FN6O2.C31H32ClN7O4/c1-10-28(45)42-18-23(6)43(19-22(42)5)32-25-17-26(37)30(24-13-11-12-14-27(24)39-34(46)36(7,8)9)40-33(25)44(35(47)41-32)31-21(4)15-16-38-29(31)20(2)3;1-9-28(42)39-17-23(8)40(18-22(39)7)32-26-16-27(35)30(25-13-11-10-12-21(25)6)37-33(26)41(34(43)38-32)31-24(19(2)3)14-15-36-29(31)20(4)5;1-7-25(40)36-15-20(6)37(16-19(36)5)29-22-14-23(32)27(21-10-8-9-11-24(21)39(42)43)34-30(22)38(31(41)35-29)28-18(4)12-13-33-26(28)17(2)3/h10-17,20,22-23H,1,18-19H2,2-9H3,(H,39,46);9-16,19-20,22-23H,1,17-18H2,2-8H3;7-14,17,19-20H,1,15-16H2,2-6H3
• InChIKey: BWWGHYFZCVPAHW-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 324.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1841.05
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one (CID 159223384) is 6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4C)c(F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4NC(=O)C(C)(C)C)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4[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-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is BWWGHYFZCVPAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42ClN7O3.C34H39FN6O2.C31H32ClN7O4/c1-10-28(45)42-18-23(6)43(19-22(42)5)32-25-17-26(37)30(24-13-11-12-14-27(24)39-34(46)36(7,8)9)40-33(25)44(35(47)41-32)31-21(4)15-16-38-29(31)20(2)3;1-9-28(42)39-17-23(8)40(18-22(39)7)32-26-16-27(35)30(25-13-11-10-12-21(25)6)37-33(26)41(34(43)38-32)31-24(19(2)3)14-15-36-29(31)20(4)5;1-7-25(40)36-15-20(6)37(16-19(36)5)29-22-14-23(32)27(21-10-8-9-11-24(21)39(42)43)34-30(22)38(31(41)35-29)28-18(4)12-13-33-26(28)17(2)3/h10-17,20,22-23H,1,18-19H2,2-9H3,(H,39,46);9-16,19-20,22-23H,1,17-18H2,2-8H3;7-14,17,19-20H,1,15-16H2,2-6H3.

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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1841.05 g/mol, XLogP of 18.12, 18 rotatable bonds, 1 hydrogen bond donors, and 24 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-nitrophenyl)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-dimethylpropanamide;4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-[2,4-di(propan-2-yl)-3-pyridinyl]-6-fluoro-7-(2-methylphenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159223384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).