3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid

C30H29N5O3 — CID 11352690

IUPAC3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)n(Cc3nn[nH]n3)c2c1
InChIInChI=1S/C30H29N5O3/c36-30(37)23-13-16-25-26(17-23)35(18-27-31-33-34-32-27)29(28(25)21-9-5-2-6-10-21)22-11-14-24(15-12-22)38-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18-19H2,(H,36,37)(H,31,32,33,34)
InChIKeySLSVIEPPLUQVKX-UHFFFAOYSA-N
MW507.59 g/mol
LogP6.19
Rot. Bonds8

About 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid

3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid (PubChem CID 11352690) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid
PubChem CID11352690
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)n(Cc3nn[nH]n3)c2c1
InChIInChI=1S/C30H29N5O3/c36-30(37)23-13-16-25-26(17-23)35(18-27-31-33-34-32-27)29(28(25)21-9-5-2-6-10-21)22-11-14-24(15-12-22)38-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18-19H2,(H,36,37)(H,31,32,33,34)
InChIKeySLSVIEPPLUQVKX-UHFFFAOYSA-N
XLogP6.19
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid
CID 11376065
1-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-cyclooctyl-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid;ethane
CID 142999350
3-cyclohexyl-1-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid
CID 11387694
3-cyclohexyl-1-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid
CID 142999593
3-cyclohexyl-2-phenyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid
CID 11178349
1-benzyl-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid
CID 46232750
1-benzyl-3-cyclohexyl-2-phenylindole-5-carboxylic acid
CID 11774213
3-cyclohexyl-1-[2-(ethenylamino)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
CID 11211801
(7E)-17-cyclohexyl-18-(4-phenylmethoxyphenyl)-1,4,11-triazatricyclo[11.5.2.016,19]icosa-7,13(20),14,16(19),17-pentaene-3,12-dione
CID 68506131
methyl 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-indole-6-carboxylate
CID 59549050
3-cyclohexyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylindole-6-carboxylic acid
CID 58923486
6-cyclohexyl-4-[2-(dimethylamino)-2-oxoethyl]-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 11432311

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid (CID 11352690) is 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)n(Cc3nn[nH]n3)c2c1.
What is the InChIKey of 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid?
The InChIKey is SLSVIEPPLUQVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O3/c36-30(37)23-13-16-25-26(17-23)35(18-27-31-33-34-32-27)29(28(25)21-9-5-2-6-10-21)22-11-14-24(15-12-22)38-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18-19H2,(H,36,37)(H,31,32,33,34).
What are the key properties of 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid?
3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid has a molecular weight of 507.59 g/mol, XLogP of 6.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid is sourced from PubChem (CID 11352690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).