2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid

C174H176N18O19 — CID 158087518

About 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid

2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 158087518) has the molecular formula C174H176N18O19 and a molecular weight of 2823.43 g/mol. Its IUPAC name is 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid
• PubChem CID: 158087518
• Molecular Formula: C174H176N18O19
• Molecular Weight: 2823.43 g/mol
• Exact Mass: 2821.34
• IUPAC Name: 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid
• SMILES: COCCNC(=O)c1ccc2c(c1)c(C)nn2Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCC(C)CC3)cc12.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCCC3)cc12.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCCCC3)cc12.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCCCCC3)cc12.Cc1nn(Cc2ccc(C3(C(=O)O)CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12
• InChI: InChI=1S/C31H33N3O3.2C30H31N3O3.C29H29N3O3.C28H27N3O3.C26H25N3O4/c1-19(2)23-7-9-24(10-8-23)20(3)32-29(35)25-11-14-28-27(17-25)21(4)33-34(28)18-22-5-12-26(13-6-22)31(15-16-31)30(36)37;1-19-7-14-24(15-8-19)31-29(34)23-13-16-28-27(17-23)20(2)32-33(28)18-21-9-11-22(12-10-21)25-5-3-4-6-26(25)30(35)36;1-20-27-18-23(29(34)31-24-8-4-2-3-5-9-24)16-17-28(27)33(32-20)19-21-12-14-22(15-13-21)25-10-6-7-11-26(25)30(35)36;1-19-26-17-22(28(33)30-23-7-3-2-4-8-23)15-16-27(26)32(31-19)18-20-11-13-21(14-12-20)24-9-5-6-10-25(24)29(34)35;1-18-25-16-21(27(32)29-22-6-2-3-7-22)14-15-26(25)31(30-18)17-19-10-12-20(13-11-19)23-8-4-5-9-24(23)28(33)34;1-17-23-15-20(25(30)27-13-14-33-2)11-12-24(23)29(28-17)16-18-7-9-19(10-8-18)21-5-3-4-6-22(21)26(31)32/h5-14,17,19-20H,15-16,18H2,1-4H3,(H,32,35)(H,36,37);3-6,9-13,16-17,19,24H,7-8,14-15,18H2,1-2H3,(H,31,34)(H,35,36);6-7,10-18,24H,2-5,8-9,19H2,1H3,(H,31,34)(H,35,36);5-6,9-17,23H,2-4,7-8,18H2,1H3,(H,30,33)(H,34,35);4-5,8-16,22H,2-3,6-7,17H2,1H3,(H,29,32)(H,33,34);3-12,15H,13-14,16H2,1-2H3,(H,27,30)(H,31,32)/t20-;;;;;/m0...../s1
• InChIKey: FNRPWPLSYOJEBQ-WKLPPPHPSA-N
• XLogP: 33.79
• TPSA: 514.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2823.43
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	12
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 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid?

The IUPAC name of 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid (CID 158087518) is 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid is COCCNC(=O)c1ccc2c(c1)c(C)nn2Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCC(C)CC3)cc12.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCCC3)cc12.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCCCC3)cc12.Cc1nn(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC3CCCCCC3)cc12.Cc1nn(Cc2ccc(C3(C(=O)O)CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12.

What is the InChIKey of 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid?

The InChIKey is FNRPWPLSYOJEBQ-WKLPPPHPSA-N. The full InChI is InChI=1S/C31H33N3O3.2C30H31N3O3.C29H29N3O3.C28H27N3O3.C26H25N3O4/c1-19(2)23-7-9-24(10-8-23)20(3)32-29(35)25-11-14-28-27(17-25)21(4)33-34(28)18-22-5-12-26(13-6-22)31(15-16-31)30(36)37;1-19-7-14-24(15-8-19)31-29(34)23-13-16-28-27(17-23)20(2)32-33(28)18-21-9-11-22(12-10-21)25-5-3-4-6-26(25)30(35)36;1-20-27-18-23(29(34)31-24-8-4-2-3-5-9-24)16-17-28(27)33(32-20)19-21-12-14-22(15-13-21)25-10-6-7-11-26(25)30(35)36;1-19-26-17-22(28(33)30-23-7-3-2-4-8-23)15-16-27(26)32(31-19)18-20-11-13-21(14-12-20)24-9-5-6-10-25(24)29(34)35;1-18-25-16-21(27(32)29-22-6-2-3-7-22)14-15-26(25)31(30-18)17-19-10-12-20(13-11-19)23-8-4-5-9-24(23)28(33)34;1-17-23-15-20(25(30)27-13-14-33-2)11-12-24(23)29(28-17)16-18-7-9-19(10-8-18)21-5-3-4-6-22(21)26(31)32/h5-14,17,19-20H,15-16,18H2,1-4H3,(H,32,35)(H,36,37);3-6,9-13,16-17,19,24H,7-8,14-15,18H2,1-2H3,(H,31,34)(H,35,36);6-7,10-18,24H,2-5,8-9,19H2,1H3,(H,31,34)(H,35,36);5-6,9-17,23H,2-4,7-8,18H2,1H3,(H,30,33)(H,34,35);4-5,8-16,22H,2-3,6-7,17H2,1H3,(H,29,32)(H,33,34);3-12,15H,13-14,16H2,1-2H3,(H,27,30)(H,31,32)/t20-;;;;;/m0...../s1.

What are the key properties of 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid?

2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 2823.43 g/mol, XLogP of 33.79, 40 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-(cycloheptylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclohexylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(cyclopentylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-(2-methoxyethylcarbamoyl)-3-methylindazol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[3-methyl-5-[(4-methylcyclohexyl)carbamoyl]indazol-1-yl]methyl]phenyl]benzoic acid;1-[4-[[3-methyl-5-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]carbamoyl]indazol-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158087518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).