6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

C23H26N2O3 — CID 72950103

IUPAC6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCCCc1cc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2cc1OC
InChIInChI=1S/C23H26N2O3/c1-4-6-14-11-16-17(12-15-7-5-8-18(24-15)22(26)27)21(23(2)9-10-23)25-19(16)13-20(14)28-3/h5,7-8,11,13,25H,4,6,9-10,12H2,1-3H3,(H,26,27)
InChIKeyUTUZQSUUOBEGCH-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.86
Rot. Bonds7

About 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 72950103) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID72950103
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCCCc1cc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2cc1OC
InChIInChI=1S/C23H26N2O3/c1-4-6-14-11-16-17(12-15-7-5-8-18(24-15)22(26)27)21(23(2)9-10-23)25-19(16)13-20(14)28-3/h5,7-8,11,13,25H,4,6,9-10,12H2,1-3H3,(H,26,27)
InChIKeyUTUZQSUUOBEGCH-UHFFFAOYSA-N
XLogP4.86
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (CID 72950103) is 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is CCCc1cc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2cc1OC.
What is the InChIKey of 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is UTUZQSUUOBEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-6-14-11-16-17(12-15-7-5-8-18(24-15)22(26)27)21(23(2)9-10-23)25-19(16)13-20(14)28-3/h5,7-8,11,13,25H,4,6,9-10,12H2,1-3H3,(H,26,27).
What are the key properties of 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-methoxy-2-(1-methylcyclopropyl)-5-propyl-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72950103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).