3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid

C26H29N3O4 — CID 46232677

IUPAC3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C26H29N3O4/c30-23(28-12-14-33-15-13-28)17-29-22-16-19(26(31)32)9-10-20(22)24(18-6-2-1-3-7-18)25(29)21-8-4-5-11-27-21/h4-5,8-11,16,18H,1-3,6-7,12-15,17H2,(H,31,32)
InChIKeyYWGWEDCARRECND-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.31
Rot. Bonds5

About 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid

3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid (PubChem CID 46232677) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid
PubChem CID46232677
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C26H29N3O4/c30-23(28-12-14-33-15-13-28)17-29-22-16-19(26(31)32)9-10-20(22)24(18-6-2-1-3-7-18)25(29)21-8-4-5-11-27-21/h4-5,8-11,16,18H,1-3,6-7,12-15,17H2,(H,31,32)
InChIKeyYWGWEDCARRECND-UHFFFAOYSA-N
XLogP4.31
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid (CID 46232677) is 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid?
The InChIKey is YWGWEDCARRECND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-23(28-12-14-33-15-13-28)17-29-22-16-19(26(31)32)9-10-20(22)24(18-6-2-1-3-7-18)25(29)21-8-4-5-11-27-21/h4-5,8-11,16,18H,1-3,6-7,12-15,17H2,(H,31,32).
What are the key properties of 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid?
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid has a molecular weight of 447.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyridin-2-ylindole-6-carboxylic acid is sourced from PubChem (CID 46232677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).