1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide

C115H112Cl4F6N18O9 — CID 158770671

About 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide

1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide (PubChem CID 158770671) has the molecular formula C115H112Cl4F6N18O9 and a molecular weight of 2146.08 g/mol. Its IUPAC name is 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
• PubChem CID: 158770671
• Molecular Formula: C115H112Cl4F6N18O9
• Molecular Weight: 2146.08 g/mol
• Exact Mass: 2142.75
• IUPAC Name: 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide
• SMILES: C=CC(=O)N1CCN(c2nc(C(F)F)c(-c3ccccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(C(N)=O)c(-c3ccccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(C)c(C(=O)N(C(C)C)C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(COC)c(C(=O)O)c3nc(-c4ccccc4F)c(Cl)cc23)CC1
• InChI: InChI=1S/C31H28ClF3N4O.C31H29ClFN5O2.C29H33ClFN5O2.C24H22ClFN4O4/c1-4-25(40)38-13-15-39(16-14-38)31-22-17-23(32)27(21-11-7-8-12-24(21)33)36-28(22)26(29(37-31)30(34)35)20-10-6-5-9-19(20)18(2)3;1-4-25(39)37-13-15-38(16-14-37)31-22-17-23(32)27(21-11-7-8-12-24(21)33)35-28(22)26(29(36-31)30(34)40)20-10-6-5-9-19(20)18(2)3;1-7-24(37)34-12-14-35(15-13-34)28-21-16-22(30)26(20-10-8-9-11-23(20)31)33-27(21)25(19(6)32-28)29(38)36(17(2)3)18(4)5;1-3-19(31)29-8-10-30(11-9-29)23-15-12-16(25)21(14-6-4-5-7-17(14)26)28-22(15)20(24(32)33)18(27-23)13-34-2/h4-12,17-18,30H,1,13-16H2,2-3H3;4-12,17-18H,1,13-16H2,2-3H3,(H2,34,40);7-11,16-18H,1,12-15H2,2-6H3;3-7,12H,1,8-11,13H2,2H3,(H,32,33)
• InChIKey: IPUZIJINPQNORK-UHFFFAOYSA-N
• XLogP: 22.72
• TPSA: 307.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.08
LogP ≤ 5	22.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?

The IUPAC name of 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide (CID 158770671) is 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide.

What is the SMILES notation for 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?

The canonical SMILES for 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide is C=CC(=O)N1CCN(c2nc(C(F)F)c(-c3ccccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(C(N)=O)c(-c3ccccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(C)c(C(=O)N(C(C)C)C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2nc(COC)c(C(=O)O)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.

What is the InChIKey of 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?

The InChIKey is IPUZIJINPQNORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClF3N4O.C31H29ClFN5O2.C29H33ClFN5O2.C24H22ClFN4O4/c1-4-25(40)38-13-15-39(16-14-38)31-22-17-23(32)27(21-11-7-8-12-24(21)33)36-28(22)26(29(37-31)30(34)35)20-10-6-5-9-19(20)18(2)3;1-4-25(39)37-13-15-38(16-14-37)31-22-17-23(32)27(21-11-7-8-12-24(21)33)35-28(22)26(29(36-31)30(34)40)20-10-6-5-9-19(20)18(2)3;1-7-24(37)34-12-14-35(15-13-34)28-21-16-22(30)26(20-10-8-9-11-23(20)31)33-27(21)25(19(6)32-28)29(38)36(17(2)3)18(4)5;1-3-19(31)29-8-10-30(11-9-29)23-15-12-16(25)21(14-6-4-5-7-17(14)26)28-22(15)20(24(32)33)18(27-23)13-34-2/h4-12,17-18,30H,1,13-16H2,2-3H3;4-12,17-18H,1,13-16H2,2-3H3,(H2,34,40);7-11,16-18H,1,12-15H2,2-6H3;3-7,12H,1,8-11,13H2,2H3,(H,32,33).

What are the key properties of 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide?

1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide has a molecular weight of 2146.08 g/mol, XLogP of 22.72, 24 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-chloro-7-(difluoromethyl)-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]prop-2-en-1-one;3-chloro-2-(2-fluorophenyl)-7-(methoxymethyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxylic acid;3-chloro-2-(2-fluorophenyl)-7-methyl-N,N-di(propan-2-yl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-8-carboxamide;3-chloro-2-(2-fluorophenyl)-8-(2-propan-2-ylphenyl)-5-(4-prop-2-enoylpiperazin-1-yl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 158770671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).