2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C16H13N3O2 — CID 106893193

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C3Cc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C16H13N3O2/c20-16(21)12-7-13-15(17-8-12)19-14(18-13)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,20,21)(H,17,18,19)
InChIKeyGCCAUJBULVRNMB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.54
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 106893193) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID106893193
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C3Cc4ccccc4C3)[nH]c2c1
InChIInChI=1S/C16H13N3O2/c20-16(21)12-7-13-15(17-8-12)19-14(18-13)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,20,21)(H,17,18,19)
InChIKeyGCCAUJBULVRNMB-UHFFFAOYSA-N
XLogP2.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503887
2-cyclohexyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80502932
2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821326
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821328
2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one
CID 84693537
2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821514
2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 83136569
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820668
2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821422

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 106893193) is 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(C3Cc4ccccc4C3)[nH]c2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is GCCAUJBULVRNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)12-7-13-15(17-8-12)19-14(18-13)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,20,21)(H,17,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 106893193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).