6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

C21H22N2O2 — CID 72949581

IUPAC6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCCc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2c1
InChIInChI=1S/C21H22N2O2/c1-3-13-7-8-15-16(12-14-5-4-6-17(22-14)20(24)25)19(21(2)9-10-21)23-18(15)11-13/h4-8,11,23H,3,9-10,12H2,1-2H3,(H,24,25)
InChIKeyBEELFYMJJCFFQY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.47
Rot. Bonds5

About 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 72949581) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID72949581
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCCc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2c1
InChIInChI=1S/C21H22N2O2/c1-3-13-7-8-15-16(12-14-5-4-6-17(22-14)20(24)25)19(21(2)9-10-21)23-18(15)11-13/h4-8,11,23H,3,9-10,12H2,1-2H3,(H,24,25)
InChIKeyBEELFYMJJCFFQY-UHFFFAOYSA-N
XLogP4.47
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
CID 1820
5-methyl-1H-indole-2-carboxylic acid
CID 259188
Harman-3-Carboxylic Acid
CID 5406157
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
2-phenyl-1H-indole-6-carboxylic acid
CID 826252
2-(1H-indol-2-yl)benzoic acid
CID 711638
3H-Benzo[e]indole-2-carboxylic acid
CID 354966
3-Methyl-1H-indole-2-carboxylic acid
CID 2752638
ERalpha degrader-2
CID 135230895
1H-Indole-6-carboxylic acid, 3-cyclohexyl-2-(2-pyridinyl)-
CID 514285
5-Nitro-3-phenyl-1H-indole-2-carboxylic acid
CID 700784

Frequently Asked Questions

What is the IUPAC name of 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (CID 72949581) is 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is CCc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2c1.
What is the InChIKey of 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is BEELFYMJJCFFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-13-7-8-15-16(12-14-5-4-6-17(22-14)20(24)25)19(21(2)9-10-21)23-18(15)11-13/h4-8,11,23H,3,9-10,12H2,1-2H3,(H,24,25).
What are the key properties of 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72949581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).