5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid

C18H18N2O3 — CID 170299637

IUPAC5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
SMILESCOCc1cc(C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1
InChIInChI=1S/C18H18N2O3/c1-12-7-13(11-23-2)8-14-9-16(18(21)22)20(17(12)14)10-15-5-3-4-6-19-15/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyDREUHONANSJOJV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.24
Rot. Bonds5

About 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid

5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid (PubChem CID 170299637) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
PubChem CID170299637
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
SMILESCOCc1cc(C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1
InChIInChI=1S/C18H18N2O3/c1-12-7-13(11-23-2)8-14-9-16(18(21)22)20(17(12)14)10-15-5-3-4-6-19-15/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyDREUHONANSJOJV-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 175952620
1-benzyl-5,7-dimethylindole-2-carboxylic acid
CID 83968494
5-[2-(dimethylamino)ethoxy]-7-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 170126032
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
ethyl 5-tert-butyl-1-(pyridin-2-ylmethyl)indole-2-carboxylate
CID 15979366
5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175931837
1,7-dimethyl-5-phenylmethoxyindole-2-carboxylic acid
CID 145364314
3-hydroxy-1-[4-(methoxymethyl)-1-(pyridin-2-ylmethyl)pyrrol-2-yl]-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
CID 69138713
5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175952664
methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
CID 11608760
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-2-carboxylic acid
CID 63019955
N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42484940

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid (CID 170299637) is 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid is COCc1cc(C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1.
What is the InChIKey of 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
The InChIKey is DREUHONANSJOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-13(11-23-2)8-14-9-16(18(21)22)20(17(12)14)10-15-5-3-4-6-19-15/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-methyl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid is sourced from PubChem (CID 170299637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).