3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid

C21H22N2O3 — CID 71501727

IUPAC3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
SMILESCOc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)O)cc3n2C)n1
InChIInChI=1S/C21H22N2O3/c1-23-17-12-14(21(24)25)10-11-15(17)19(13-6-3-4-7-13)20(23)16-8-5-9-18(22-16)26-2/h5,8-13H,3-4,6-7H2,1-2H3,(H,24,25)
InChIKeyZRHYKEOQXLROFZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.60
Rot. Bonds4

About 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid

3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid (PubChem CID 71501727) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
PubChem CID71501727
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid
SMILESCOc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)O)cc3n2C)n1
InChIInChI=1S/C21H22N2O3/c1-23-17-12-14(21(24)25)10-11-15(17)19(13-6-3-4-7-13)20(23)16-8-5-9-18(22-16)26-2/h5,8-13H,3-4,6-7H2,1-2H3,(H,24,25)
InChIKeyZRHYKEOQXLROFZ-UHFFFAOYSA-N
XLogP4.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[[1-[[3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 71462829
3-cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carboxylic acid
CID 71501908
methyl 3-cyclopentyl-2-(4-methoxyphenyl)-1-methylindole-6-carboxylate
CID 59127758
3-cyclopentyl-2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]-1-methylindole-6-carboxylic acid
CID 10295178
3-cyclopentyl-1-methyl-N-(2-methyl-1-oxopropan-2-yl)-2-pyridin-2-ylindole-6-carboxamide
CID 58745699
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-1-methylindole-6-carboxylic acid;methyl 2-(1H-benzimidazol-2-yl)-3-cyclohexyl-1-methylindole-6-carboxylate;methyl 3-cyclohexyl-2-formyl-1-methylindole-6-carboxylate
CID 160932506
5-[[2-[[3-cyclopentyl-2-(5-methoxy-2-pyridinyl)-1-methylindole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71455669
ethane;methyl 3-cyclohexyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 142207585
1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
CID 142999777
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(3-methoxyphenyl)indole-6-carboxylic acid
CID 58923491
12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid;methyl 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylate
CID 157061369
(E)-3-[2-[1-[[2-(6-amino-2-pyridinyl)-3-cyclopentyl-1-methylindole-6-carbonyl]amino]cyclopent-3-en-1-yl]-1-methylbenzimidazol-5-yl]prop-2-enoic acid
CID 58111269

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid (CID 71501727) is 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid is COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)O)cc3n2C)n1.
What is the InChIKey of 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid?
The InChIKey is ZRHYKEOQXLROFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-23-17-12-14(21(24)25)10-11-15(17)19(13-6-3-4-7-13)20(23)16-8-5-9-18(22-16)26-2/h5,8-13H,3-4,6-7H2,1-2H3,(H,24,25).
What are the key properties of 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid?
3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methylindole-6-carboxylic acid is sourced from PubChem (CID 71501727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).