3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid

C20H20N2O2 — CID 514285

IUPAC3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C20H20N2O2/c23-20(24)14-9-10-15-17(12-14)22-19(16-8-4-5-11-21-16)18(15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,23,24)
InChIKeyVAOIEQWVQCEWJO-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.98
Rot. Bonds3

About 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid

3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid (PubChem CID 514285) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid
PubChem CID514285
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C20H20N2O2/c23-20(24)14-9-10-15-17(12-14)22-19(16-8-4-5-11-21-16)18(15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,23,24)
InChIKeyVAOIEQWVQCEWJO-UHFFFAOYSA-N
XLogP4.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid (CID 514285) is 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)[nH]c2c1.
What is the InChIKey of 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid?
The InChIKey is VAOIEQWVQCEWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(24)14-9-10-15-17(12-14)22-19(16-8-4-5-11-21-16)18(15)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H,23,24).
What are the key properties of 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid?
3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-pyridin-2-yl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 514285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).