3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid

C115H109F5N18O13 — CID 160506474

About 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 160506474) has the molecular formula C115H109F5N18O13 and a molecular weight of 2046.24 g/mol. Its IUPAC name is 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid
• PubChem CID: 160506474
• Molecular Formula: C115H109F5N18O13
• Molecular Weight: 2046.24 g/mol
• Exact Mass: 2044.83
• IUPAC Name: 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid
• SMILES: CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1ccc(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)cc1.Cc1cccc(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)c1.Cn1nc(Cc2cnccc2C(=O)O)c2c1CCCC2.O=C(O)c1ccncc1Cc1nn(CC2CCCCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCO)c2ccc(F)cc12
• InChI: InChI=1S/2C22H18FN3O2.C21H22FN3O2.C19H20FN3O2.C16H14FN3O3.C15H17N3O2/c1-14-2-4-15(5-3-14)13-26-21-7-6-17(23)11-19(21)20(25-26)10-16-12-24-9-8-18(16)22(27)28;1-14-3-2-4-15(9-14)13-26-21-6-5-17(23)11-19(21)20(25-26)10-16-12-24-8-7-18(16)22(27)28;22-16-6-7-20-18(11-16)19(10-15-12-23-9-8-17(15)21(26)27)24-25(20)13-14-4-2-1-3-5-14;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;17-11-1-2-15-13(8-11)14(19-20(15)5-6-21)7-10-9-18-4-3-12(10)16(22)23;1-18-14-5-3-2-4-12(14)13(17-18)8-10-9-16-7-6-11(10)15(19)20/h2*2-9,11-12H,10,13H2,1H3,(H,27,28);6-9,11-12,14H,1-5,10,13H2,(H,26,27);5-8,11-12H,2-4,9-10H2,1H3,(H,24,25);1-4,8-9,21H,5-7H2,(H,22,23);6-7,9H,2-5,8H2,1H3,(H,19,20)
• InChIKey: QSMACJFCVOKXFT-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 428.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.24
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 160506474) is 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid is CCCCCn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cc1ccc(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)cc1.Cc1cccc(Cn2nc(Cc3cnccc3C(=O)O)c3cc(F)ccc32)c1.Cn1nc(Cc2cnccc2C(=O)O)c2c1CCCC2.O=C(O)c1ccncc1Cc1nn(CC2CCCCC2)c2ccc(F)cc12.O=C(O)c1ccncc1Cc1nn(CCO)c2ccc(F)cc12.

What is the InChIKey of 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid?

The InChIKey is QSMACJFCVOKXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18FN3O2.C21H22FN3O2.C19H20FN3O2.C16H14FN3O3.C15H17N3O2/c1-14-2-4-15(5-3-14)13-26-21-7-6-17(23)11-19(21)20(25-26)10-16-12-24-9-8-18(16)22(27)28;1-14-3-2-4-15(9-14)13-26-21-6-5-17(23)11-19(21)20(25-26)10-16-12-24-8-7-18(16)22(27)28;22-16-6-7-20-18(11-16)19(10-15-12-23-9-8-17(15)21(26)27)24-25(20)13-14-4-2-1-3-5-14;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;17-11-1-2-15-13(8-11)14(19-20(15)5-6-21)7-10-9-18-4-3-12(10)16(22)23;1-18-14-5-3-2-4-12(14)13(17-18)8-10-9-16-7-6-11(10)15(19)20/h2*2-9,11-12H,10,13H2,1H3,(H,27,28);6-9,11-12,14H,1-5,10,13H2,(H,26,27);5-8,11-12H,2-4,9-10H2,1H3,(H,24,25);1-4,8-9,21H,5-7H2,(H,22,23);6-7,9H,2-5,8H2,1H3,(H,19,20).

What are the key properties of 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid?

3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 2046.24 g/mol, XLogP of 20.76, 30 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(cyclohexylmethyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-hydroxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(4-methylphenyl)methyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-fluoro-1-pentylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 160506474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).