3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid

C118H115F3N22O17 — CID 162199239

About 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 162199239) has the molecular formula C118H115F3N22O17 and a molecular weight of 2170.35 g/mol. Its IUPAC name is 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
• PubChem CID: 162199239
• Molecular Formula: C118H115F3N22O17
• Molecular Weight: 2170.35 g/mol
• Exact Mass: 2168.88
• IUPAC Name: 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
• SMILES: CCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.COCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.COc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2C.Cn1nc(Cc2cnccc2C(=O)O)c2c(F)cccc21.Cn1nc(Cc2cnccc2C(=O)O)c2cc(C(C)(F)F)ccc21
• InChI: InChI=1S/C20H24N4O3.C17H15F2N3O2.C17H17N3O3.C17H17N3O2.C16H15N3O3.C16H15N3O2.C15H12FN3O2/c1-23(2)9-11-27-12-10-24-19-6-4-3-5-17(19)18(22-24)13-15-14-21-8-7-16(15)20(25)26;1-17(18,19)11-3-4-15-13(8-11)14(21-22(15)2)7-10-9-20-6-5-12(10)16(23)24;1-23-9-8-20-16-5-3-2-4-14(16)15(19-20)10-12-11-18-7-6-13(12)17(21)22;1-2-9-20-16-6-4-3-5-14(16)15(19-20)10-12-11-18-8-7-13(12)17(21)22;1-19-15-8-11(22-2)3-4-13(15)14(18-19)7-10-9-17-6-5-12(10)16(20)21;1-10-3-4-15-13(7-10)14(18-19(15)2)8-11-9-17-6-5-12(11)16(20)21;1-19-13-4-2-3-11(16)14(13)12(18-19)7-9-8-17-6-5-10(9)15(20)21/h3-8,14H,9-13H2,1-2H3,(H,25,26);3-6,8-9H,7H2,1-2H3,(H,23,24);2-7,11H,8-10H2,1H3,(H,21,22);3-8,11H,2,9-10H2,1H3,(H,21,22);3-6,8-9H,7H2,1-2H3,(H,20,21);3-7,9H,8H2,1-2H3,(H,20,21);2-6,8H,7H2,1H3,(H,20,21)
• InChIKey: ZRIYGDUZKXBIQA-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 507.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.35
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 162199239) is 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid is CCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.COCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.COc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2C.Cn1nc(Cc2cnccc2C(=O)O)c2c(F)cccc21.Cn1nc(Cc2cnccc2C(=O)O)c2cc(C(C)(F)F)ccc21.

What is the InChIKey of 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The InChIKey is ZRIYGDUZKXBIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3.C17H15F2N3O2.C17H17N3O3.C17H17N3O2.C16H15N3O3.C16H15N3O2.C15H12FN3O2/c1-23(2)9-11-27-12-10-24-19-6-4-3-5-17(19)18(22-24)13-15-14-21-8-7-16(15)20(25)26;1-17(18,19)11-3-4-15-13(8-11)14(21-22(15)2)7-10-9-20-6-5-12(10)16(23)24;1-23-9-8-20-16-5-3-2-4-14(16)15(19-20)10-12-11-18-7-6-13(12)17(21)22;1-2-9-20-16-6-4-3-5-14(16)15(19-20)10-12-11-18-8-7-13(12)17(21)22;1-19-15-8-11(22-2)3-4-13(15)14(18-19)7-10-9-17-6-5-12(10)16(20)21;1-10-3-4-15-13(7-10)14(18-19(15)2)8-11-9-17-6-5-12(11)16(20)21;1-19-13-4-2-3-11(16)14(13)12(18-19)7-9-8-17-6-5-10(9)15(20)21/h3-8,14H,9-13H2,1-2H3,(H,25,26);3-6,8-9H,7H2,1-2H3,(H,23,24);2-7,11H,8-10H2,1H3,(H,21,22);3-8,11H,2,9-10H2,1H3,(H,21,22);3-6,8-9H,7H2,1-2H3,(H,20,21);3-7,9H,8H2,1-2H3,(H,20,21);2-6,8H,7H2,1H3,(H,20,21).

What are the key properties of 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 2170.35 g/mol, XLogP of 18.39, 34 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(1,1-difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 162199239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).