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

C91H97Cl3F3N19O8 — CID 157055360

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

6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 157055360) has the molecular formula C91H97Cl3F3N19O8 and a molecular weight of 1748.25 g/mol. Its IUPAC name is 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 157055360
• Molecular Formula: C91H97Cl3F3N19O8
• Molecular Weight: 1748.25 g/mol
• Exact Mass: 1745.68
• IUPAC Name: 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(C)ccc5cn[nH]c45)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4OC(F)F)c(Cl)cc23)CC1C.C=CC(=O)N1CCN(c2nc(=O)n(CC(C)(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@@H]1CO
• InChI: InChI=1S/C33H35ClN8O2.C32H33ClF2N6O3.C26H29ClFN5O3/c1-8-25(43)40-15-21(7)41(16-20(40)6)31-23-13-24(34)29(26-18(4)9-10-22-14-36-39-28(22)26)37-32(23)42(33(44)38-31)30-19(5)11-12-35-27(30)17(2)3;1-7-25(42)39-15-20(6)40(16-19(39)5)29-22-14-23(33)27(21-10-8-9-11-24(21)44-31(34)35)37-30(22)41(32(43)38-29)28-18(4)12-13-36-26(28)17(2)3;1-5-21(35)32-11-10-31(13-16(32)14-34)23-18-12-19(27)22(17-8-6-7-9-20(17)28)29-24(18)33(25(36)30-23)15-26(2,3)4/h8-14,17,20-21H,1,15-16H2,2-7H3,(H,36,39);7-14,17,19-20,31H,1,15-16H2,2-6H3;5-9,12,16,34H,1,10-11,13-15H2,2-4H3/t;;16-/m..1/s1
• InChIKey: AARPVGCZMIJMFK-ZDGYNWQWSA-N
• XLogP: 15.36
• TPSA: 297.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.25
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 157055360) is 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

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

The canonical SMILES for 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(C)ccc5cn[nH]c45)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4OC(F)F)c(Cl)cc23)CC1C.C=CC(=O)N1CCN(c2nc(=O)n(CC(C)(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@@H]1CO.

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

The InChIKey is AARPVGCZMIJMFK-ZDGYNWQWSA-N. The full InChI is InChI=1S/C33H35ClN8O2.C32H33ClF2N6O3.C26H29ClFN5O3/c1-8-25(43)40-15-21(7)41(16-20(40)6)31-23-13-24(34)29(26-18(4)9-10-22-14-36-39-28(22)26)37-32(23)42(33(44)38-31)30-19(5)11-12-35-27(30)17(2)3;1-7-25(42)39-15-20(6)40(16-19(39)5)29-22-14-23(33)27(21-10-8-9-11-24(21)44-31(34)35)37-30(22)41(32(43)38-29)28-18(4)12-13-36-26(28)17(2)3;1-5-21(35)32-11-10-31(13-16(32)14-34)23-18-12-19(27)22(17-8-6-7-9-20(17)28)29-24(18)33(25(36)30-23)15-26(2,3)4/h8-14,17,20-21H,1,15-16H2,2-7H3,(H,36,39);7-14,17,19-20,31H,1,15-16H2,2-6H3;5-9,12,16,34H,1,10-11,13-15H2,2-4H3/t;;16-/m..1/s1.

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

6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1748.25 g/mol, XLogP of 15.36, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-[2-(difluoromethoxy)phenyl]-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-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(6-methyl-1H-indazol-7-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-4-[(3R)-3-(hydroxymethyl)-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 157055360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).