6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one

C96H99Cl3F6N20O8 — CID 159747743

About 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[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-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 159747743) has the molecular formula C96H99Cl3F6N20O8 and a molecular weight of 1881.33 g/mol. Its IUPAC name is 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 159747743
• Molecular Formula: C96H99Cl3F6N20O8
• Molecular Weight: 1881.33 g/mol
• Exact Mass: 1878.69
• IUPAC Name: 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(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(Cl)ccnc3C(C)C)c3nc(OC)c(-c4ccccc4F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N(C)C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C
• InChI: InChI=1S/C33H32ClF4N7O3.C32H35ClFN7O2.C31H32ClFN6O3/c1-7-24(46)43-14-19(6)44(15-18(43)5)29-20-13-21(34)27(25-22(35)9-8-10-23(25)40-31(47)33(36,37)38)41-30(20)45(32(48)42-29)28-17(4)11-12-39-26(28)16(2)3;1-8-26(42)39-16-20(5)40(17-19(39)4)30-22-15-23(33)28(21-11-9-10-12-24(21)34)36-31(22)41(32(43)37-30)29-25(38(6)7)13-14-35-27(29)18(2)3;1-7-25(40)37-15-19(5)38(16-18(37)4)28-22-14-21(20-10-8-9-11-24(20)33)30(42-6)35-29(22)39(31(41)36-28)27-23(32)12-13-34-26(27)17(2)3/h7-13,16,18-19H,1,14-15H2,2-6H3,(H,40,47);8-15,18-20H,1,16-17H2,2-7H3;7-14,17-19H,1,15-16H2,2-6H3
• InChIKey: NDGJFFDZQPPNCI-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 294.23 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	1881.33
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one (CID 159747743) is 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one.

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

The canonical SMILES for 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(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(Cl)ccnc3C(C)C)c3nc(OC)c(-c4ccccc4F)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(N(C)C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.

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

The InChIKey is NDGJFFDZQPPNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32ClF4N7O3.C32H35ClFN7O2.C31H32ClFN6O3/c1-7-24(46)43-14-19(6)44(15-18(43)5)29-20-13-21(34)27(25-22(35)9-8-10-23(25)40-31(47)33(36,37)38)41-30(20)45(32(48)42-29)28-17(4)11-12-39-26(28)16(2)3;1-8-26(42)39-16-20(5)40(17-19(39)4)30-22-15-23(33)28(21-11-9-10-12-24(21)34)36-31(22)41(32(43)37-30)29-25(38(6)7)13-14-35-27(29)18(2)3;1-7-25(40)37-15-19(5)38(16-18(37)4)28-22-14-21(20-10-8-9-11-24(20)33)30(42-6)35-29(22)39(31(41)36-28)27-23(32)12-13-34-26(27)17(2)3/h7-13,16,18-19H,1,14-15H2,2-6H3,(H,40,47);8-15,18-20H,1,16-17H2,2-7H3;7-14,17-19H,1,15-16H2,2-6H3.

What are the key properties of 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[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-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1881.33 g/mol, XLogP of 16.99, 18 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)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]-3-fluorophenyl]-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-yl-3-pyridinyl)-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-6-(2-fluorophenyl)-7-methoxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 159747743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).