3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid

C114H109F5N18O14 — CID 159968275

About 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 159968275) has the molecular formula C114H109F5N18O14 and a molecular weight of 2050.23 g/mol. Its IUPAC name is 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
• PubChem CID: 159968275
• Molecular Formula: C114H109F5N18O14
• Molecular Weight: 2050.23 g/mol
• Exact Mass: 2048.83
• IUPAC Name: 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
• SMILES: CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1nc(Cc2cnccc2C(=O)O)c2cccc(C)c21.COCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.O=C(O)c1ccncc1Cc1nn(CC2CC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CC2CCCO2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCc2ccccc2)c2ccc(F)cc12
• InChI: InChI=1S/C22H18FN3O2.C19H18FN3O3.C19H20FN3O2.C18H18FN3O3.C18H16FN3O2.C18H19N3O2/c23-17-6-7-21-19(13-17)20(12-16-14-24-10-8-18(16)22(27)28)25-26(21)11-9-15-4-2-1-3-5-15;20-13-3-4-18-16(9-13)17(22-23(18)11-14-2-1-7-26-14)8-12-10-21-6-5-15(12)19(24)25;1-2-3-4-9-23-18-6-5-14(20)11-16(18)17(22-23)10-13-12-21-8-7-15(13)19(24)25;1-25-8-2-7-22-17-4-3-13(19)10-15(17)16(21-22)9-12-11-20-6-5-14(12)18(23)24;19-13-3-4-17-15(8-13)16(21-22(17)10-11-1-2-11)7-12-9-20-6-5-14(12)18(23)24;1-3-9-21-17-12(2)5-4-6-15(17)16(20-21)10-13-11-19-8-7-14(13)18(22)23/h1-8,10,13-14H,9,11-12H2,(H,27,28);3-6,9-10,14H,1-2,7-8,11H2,(H,24,25);5-8,11-12H,2-4,9-10H2,1H3,(H,24,25);3-6,10-11H,2,7-9H2,1H3,(H,23,24);3-6,8-9,11H,1-2,7,10H2,(H,23,24);4-8,11H,3,9-10H2,1-2H3,(H,22,23)
• InChIKey: OEFILZLWWHQSMY-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 426.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2050.23
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 159968275) is 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid is CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.CCCn1nc(Cc2cnccc2C(=O)O)c2cccc(C)c21.COCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.O=C(O)c1ccncc1Cc1nn(CC2CC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CC2CCCO2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCc2ccccc2)c2ccc(F)cc12.

What is the InChIKey of 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The InChIKey is OEFILZLWWHQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2.C19H18FN3O3.C19H20FN3O2.C18H18FN3O3.C18H16FN3O2.C18H19N3O2/c23-17-6-7-21-19(13-17)20(12-16-14-24-10-8-18(16)22(27)28)25-26(21)11-9-15-4-2-1-3-5-15;20-13-3-4-18-16(9-13)17(22-23(18)11-14-2-1-7-26-14)8-12-10-21-6-5-15(12)19(24)25;1-2-3-4-9-23-18-6-5-14(20)11-16(18)17(22-23)10-13-12-21-8-7-15(13)19(24)25;1-25-8-2-7-22-17-4-3-13(19)10-15(17)16(21-22)9-12-11-20-6-5-14(12)18(23)24;19-13-3-4-17-15(8-13)16(21-22(17)10-11-1-2-11)7-12-9-20-6-5-14(12)18(23)24;1-3-9-21-17-12(2)5-4-6-15(17)16(20-21)10-13-11-19-8-7-14(13)18(22)23/h1-8,10,13-14H,9,11-12H2,(H,27,28);3-6,9-10,14H,1-2,7-8,11H2,(H,24,25);5-8,11-12H,2-4,9-10H2,1H3,(H,24,25);3-6,10-11H,2,7-9H2,1H3,(H,23,24);3-6,8-9,11H,1-2,7,10H2,(H,23,24);4-8,11H,3,9-10H2,1-2H3,(H,22,23).

What are the key properties of 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?

3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 2050.23 g/mol, XLogP of 20.79, 35 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(cyclopropylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-2-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-phenylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(7-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159968275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).