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

C22H24N2O3 — CID 144559991

IUPAC6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2c1
InChIInChI=1S/C22H24N2O3/c1-13(2)27-15-7-8-16-17(11-14-5-4-6-18(23-14)21(25)26)20(22(3)9-10-22)24-19(16)12-15/h4-8,12-13,24H,9-11H2,1-3H3,(H,25,26)
InChIKeyFQIOKLIJGYAKBB-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.69
Rot. Bonds6

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

6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 144559991) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID144559991
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCC(C)Oc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2c1
InChIInChI=1S/C22H24N2O3/c1-13(2)27-15-7-8-16-17(11-14-5-4-6-18(23-14)21(25)26)20(22(3)9-10-22)24-19(16)12-15/h4-8,12-13,24H,9-11H2,1-3H3,(H,25,26)
InChIKeyFQIOKLIJGYAKBB-UHFFFAOYSA-N
XLogP4.69
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (CID 144559991) is 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is CC(C)Oc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3(C)CC3)[nH]c2c1.
What is the InChIKey of 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is FQIOKLIJGYAKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-13(2)27-15-7-8-16-17(11-14-5-4-6-18(23-14)21(25)26)20(22(3)9-10-22)24-19(16)12-15/h4-8,12-13,24H,9-11H2,1-3H3,(H,25,26).
What are the key properties of 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 144559991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).