3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid

C114H119ClF4N20O13 — CID 160766852

About 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid

3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 160766852) has the molecular formula C114H119ClF4N20O13 and a molecular weight of 2088.78 g/mol. Its IUPAC name is 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
• PubChem CID: 160766852
• Molecular Formula: C114H119ClF4N20O13
• Molecular Weight: 2088.78 g/mol
• Exact Mass: 2086.89
• IUPAC Name: 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
• SMILES: CCCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CC1CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F
• InChI: InChI=1S/C22H25FN4O2.C20H23ClN4O3.C19H19N3O2.C18H16F3N3O2.C18H19N3O2.C17H17N3O2/c1-26-9-5-15(6-10-26)7-11-27-21-3-2-17(23)13-19(21)20(25-27)12-16-14-24-8-4-18(16)22(28)29;1-24(2)7-9-28-10-8-25-19-4-3-15(21)12-17(19)18(23-25)11-14-13-22-6-5-16(14)20(26)27;1-12-2-5-18-16(8-12)17(21-22(18)11-13-3-4-13)9-14-10-20-7-6-15(14)19(23)24;1-11-2-3-16-14(8-11)15(23-24(16)7-5-18(19,20)21)9-12-10-22-6-4-13(12)17(25)26;1-3-8-21-17-5-4-12(2)9-15(17)16(20-21)10-13-11-19-7-6-14(13)18(22)23;1-3-20-16-5-4-11(2)8-14(16)15(19-20)9-12-10-18-7-6-13(12)17(21)22/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);3-6,12-13H,7-11H2,1-2H3,(H,26,27);2,5-8,10,13H,3-4,9,11H2,1H3,(H,23,24);2-4,6,8,10H,5,7,9H2,1H3,(H,25,26);4-7,9,11H,3,8,10H2,1-2H3,(H,22,23);4-8,10H,3,9H2,1-2H3,(H,21,22)
• InChIKey: RYUFGZJNUMAYAD-UHFFFAOYSA-N
• XLogP: 20.45
• TPSA: 423.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.78
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid (CID 160766852) is 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid is CCCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CCn1nc(Cc2cnccc2C(=O)O)c2cc(C)ccc21.CN(C)CCOCCn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.CN1CCC(CCn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CC1CC1.Cc1ccc2c(c1)c(Cc1cnccc1C(=O)O)nn2CCC(F)(F)F.

What is the InChIKey of 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

The InChIKey is RYUFGZJNUMAYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2.C20H23ClN4O3.C19H19N3O2.C18H16F3N3O2.C18H19N3O2.C17H17N3O2/c1-26-9-5-15(6-10-26)7-11-27-21-3-2-17(23)13-19(21)20(25-27)12-16-14-24-8-4-18(16)22(28)29;1-24(2)7-9-28-10-8-25-19-4-3-15(21)12-17(19)18(23-25)11-14-13-22-6-5-16(14)20(26)27;1-12-2-5-18-16(8-12)17(21-22(18)11-13-3-4-13)9-14-10-20-7-6-15(14)19(23)24;1-11-2-3-16-14(8-11)15(23-24(16)7-5-18(19,20)21)9-12-10-22-6-4-13(12)17(25)26;1-3-8-21-17-5-4-12(2)9-15(17)16(20-21)10-13-11-19-7-6-14(13)18(22)23;1-3-20-16-5-4-11(2)8-14(16)15(19-20)9-12-10-18-7-6-13(12)17(21)22/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,28,29);3-6,12-13H,7-11H2,1-2H3,(H,26,27);2,5-8,10,13H,3-4,9,11H2,1H3,(H,23,24);2-4,6,8,10H,5,7,9H2,1H3,(H,25,26);4-7,9,11H,3,8,10H2,1-2H3,(H,22,23);4-8,10H,3,9H2,1-2H3,(H,21,22).

What are the key properties of 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid?

3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 2088.78 g/mol, XLogP of 20.45, 34 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 160766852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).