7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide

C98H105Cl3F6N22O9S — CID 161471439

About 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide

7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide (PubChem CID 161471439) has the molecular formula C98H105Cl3F6N22O9S and a molecular weight of 1987.48 g/mol. Its IUPAC name is 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide
• PubChem CID: 161471439
• Molecular Formula: C98H105Cl3F6N22O9S
• Molecular Weight: 1987.48 g/mol
• Exact Mass: 1984.71
• IUPAC Name: 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(F)cc(F)c4N)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N(C)C)ccnc3C(C)C)c3nc(-c4c(F)cccc4NC(=O)C(F)(F)F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N(C)C)ccnc3C(C)C)c3nc(-c4ccccc4S(C)(=O)=O)c(Cl)cc23)CC1C
• InChI: InChI=1S/C34H35ClF4N8O3.C33H38ClN7O4S.C31H32ClF2N7O2/c1-8-25(48)45-15-19(5)46(16-18(45)4)30-20-14-21(35)28(26-22(36)10-9-11-23(26)41-32(49)34(37,38)39)42-31(20)47(33(50)43-30)29-24(44(6)7)12-13-40-27(29)17(2)3;1-9-27(42)39-17-21(5)40(18-20(39)4)31-23-16-24(34)29(22-12-10-11-13-26(22)46(8,44)45)36-32(23)41(33(43)37-31)30-25(38(6)7)14-15-35-28(30)19(2)3;1-7-24(42)39-13-18(6)40(14-17(39)5)29-21-12-22(32)27(20-10-19(33)11-23(34)25(20)35)37-30(21)41(31(43)38-29)28-16(4)8-9-36-26(28)15(2)3/h8-14,17-19H,1,15-16H2,2-7H3,(H,41,49);9-16,19-21H,1,17-18H2,2-8H3;7-12,15,17-18H,1,13-14,35H2,2-6H3
• InChIKey: WDDFVJKNJQGEJD-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 348.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1987.48
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide?

The IUPAC name of 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide (CID 161471439) is 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide.

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

The canonical SMILES for 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4cc(F)cc(F)c4N)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N(C)C)ccnc3C(C)C)c3nc(-c4c(F)cccc4NC(=O)C(F)(F)F)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N(C)C)ccnc3C(C)C)c3nc(-c4ccccc4S(C)(=O)=O)c(Cl)cc23)CC1C.

What is the InChIKey of 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide?

The InChIKey is WDDFVJKNJQGEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClF4N8O3.C33H38ClN7O4S.C31H32ClF2N7O2/c1-8-25(48)45-15-19(5)46(16-18(45)4)30-20-14-21(35)28(26-22(36)10-9-11-23(26)41-32(49)34(37,38)39)42-31(20)47(33(50)43-30)29-24(44(6)7)12-13-40-27(29)17(2)3;1-9-27(42)39-17-21(5)40(18-20(39)4)31-23-16-24(34)29(22-12-10-11-13-26(22)46(8,44)45)36-32(23)41(33(43)37-31)30-25(38(6)7)14-15-35-28(30)19(2)3;1-7-24(42)39-13-18(6)40(14-17(39)5)29-21-12-22(32)27(20-10-19(33)11-23(34)25(20)35)37-30(21)41(31(43)38-29)28-16(4)8-9-36-26(28)15(2)3/h8-14,17-19H,1,15-16H2,2-7H3,(H,41,49);9-16,19-21H,1,17-18H2,2-8H3;7-12,15,17-18H,1,13-14,35H2,2-6H3.

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

7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide has a molecular weight of 1987.48 g/mol, XLogP of 16.04, 19 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-3,5-difluorophenyl)-6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-methylsulfonylphenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 161471439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).