6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one

C97H112Cl3F2N19O6 — CID 157123556

About 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one

6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 157123556) has the molecular formula C97H112Cl3F2N19O6 and a molecular weight of 1784.44 g/mol. Its IUPAC name is 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 157123556
• Molecular Formula: C97H112Cl3F2N19O6
• Molecular Weight: 1784.44 g/mol
• Exact Mass: 1781.81
• IUPAC Name: 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(N4CCCCC4)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CN(C)C)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CN(C)C)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C)C1
• InChI: InChI=1S/C34H38ClFN6O2.C33H36ClFN6O2.C30H38ClN7O2/c1-8-29(43)40-17-22(5)41(18-21(40)4)32-26-16-27(35)30(25-13-9-10-15-28(25)36)37-33(26)42(34(44)38-32)31-23(19-39(6)7)12-11-14-24(31)20(2)3;1-7-28(42)39-15-16-40(21(4)18-39)31-25-17-26(34)29(24-12-8-9-14-27(24)35)36-32(25)41(33(43)37-31)30-22(19-38(5)6)11-10-13-23(30)20(2)3;1-7-24(39)36-16-21(6)37(17-20(36)5)27-22-15-23(31)29(35-13-9-8-10-14-35)33-28(22)38(30(40)34-27)26-19(4)11-12-32-25(26)18(2)3/h8-16,20-22H,1,17-19H2,2-7H3;7-14,17,20-21H,1,15-16,18-19H2,2-6H3;7,11-12,15,18,20-21H,1,8-10,13-14,16-17H2,2-6H3/t;21-;/m.1./s1
• InChIKey: AIGHCCQJPNHNPI-WMLQNLHASA-N
• XLogP: 16.55
• TPSA: 236.60 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.44
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one (CID 157123556) is 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(N4CCCCC4)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(CN(C)C)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1C.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CN(C)C)cccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@H](C)C1.

What is the InChIKey of 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

The InChIKey is AIGHCCQJPNHNPI-WMLQNLHASA-N. The full InChI is InChI=1S/C34H38ClFN6O2.C33H36ClFN6O2.C30H38ClN7O2/c1-8-29(43)40-17-22(5)41(18-21(40)4)32-26-16-27(35)30(25-13-9-10-15-28(25)36)37-33(26)42(34(44)38-32)31-23(19-39(6)7)12-11-14-24(31)20(2)3;1-7-28(42)39-15-16-40(21(4)18-39)31-25-17-26(34)29(24-12-8-9-14-27(24)35)36-32(25)41(33(43)37-31)30-22(19-38(5)6)11-10-13-23(30)20(2)3;1-7-24(39)36-16-21(6)37(17-20(36)5)27-22-15-23(31)29(35-13-9-8-10-14-35)33-28(22)38(30(40)34-27)26-19(4)11-12-32-25(26)18(2)3/h8-16,20-22H,1,17-19H2,2-7H3;7-14,17,20-21H,1,15-16,18-19H2,2-6H3;7,11-12,15,18,20-21H,1,8-10,13-14,16-17H2,2-6H3/t;21-;/m.1./s1.

What are the key properties of 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one?

6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1784.44 g/mol, XLogP of 16.55, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[2-[(dimethylamino)methyl]-6-propan-2-ylphenyl]-7-(2-fluorophenyl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]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-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 157123556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).