1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid

C17H12N2O3 — CID 154658516

IUPAC1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid
SMILESO=C(O)c1cncc2ccn(Cc3cc4ccccc4o3)c12
InChIInChI=1S/C17H12N2O3/c20-17(21)14-9-18-8-12-5-6-19(16(12)14)10-13-7-11-3-1-2-4-15(11)22-13/h1-9H,10H2,(H,20,21)
InChIKeyLSUAGXXHDAZCLZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.53
Rot. Bonds3

About 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid

1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid (PubChem CID 154658516) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid
PubChem CID154658516
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid
SMILESO=C(O)c1cncc2ccn(Cc3cc4ccccc4o3)c12
InChIInChI=1S/C17H12N2O3/c20-17(21)14-9-18-8-12-5-6-19(16(12)14)10-13-7-11-3-1-2-4-15(11)22-13/h1-9H,10H2,(H,20,21)
InChIKeyLSUAGXXHDAZCLZ-UHFFFAOYSA-N
XLogP3.53
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[1-(1-benzofuran-2-ylmethyl)-5-fluoroindole-7-carbonyl]amino]cyclopropyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 177065463
2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylic acid
CID 164866707
5-(1-benzofuran-2-ylmethyl)-1H-pyrazole-4-carboxylic acid
CID 82377950
1-(1,3-thiazol-5-ylmethyl)indole-7-carboxylic acid
CID 112641095
N-cyclopropyl-1-[(6-fluoro-1-benzofuran-2-yl)methyl]indole-7-carboxamide
CID 175071097
[4-[[[1-(1-benzofuran-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexyl] formate
CID 87184276
2-[3-(1-benzofuran-2-ylmethyl)benzimidazol-1-ium-1-yl]-1-phenylethanone
CID 73352346
1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
CID 58306802
2-oxochromene-3-carboxylic acid
CID 161011590
2-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
CID 146144651
3-[1-[[1-[1-benzofuran-2-yl(deuterio)methyl]indole-7-carbonyl]amino]cyclopropyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 157022173
2-[4-(1-benzofuran-2-ylmethyl)thiomorpholin-3-yl]acetic acid
CID 66443021

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid (CID 154658516) is 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid is O=C(O)c1cncc2ccn(Cc3cc4ccccc4o3)c12.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is LSUAGXXHDAZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-17(21)14-9-18-8-12-5-6-19(16(12)14)10-13-7-11-3-1-2-4-15(11)22-13/h1-9H,10H2,(H,20,21).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid?
1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)pyrrolo[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 154658516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).