2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C11H11N3O2 — CID 70307629

IUPAC2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CC3CC3)[nH]c12
InChIInChI=1S/C11H11N3O2/c15-11(16)7-3-4-12-10-9(7)13-8(14-10)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14)
InChIKeyIWBWOLLNBHCROP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.61
Rot. Bonds3

About 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 70307629) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID70307629
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(CC3CC3)[nH]c12
InChIInChI=1S/C11H11N3O2/c15-11(16)7-3-4-12-10-9(7)13-8(14-10)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14)
InChIKeyIWBWOLLNBHCROP-UHFFFAOYSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 70307629) is 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(CC3CC3)[nH]c12.
What is the InChIKey of 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is IWBWOLLNBHCROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)7-3-4-12-10-9(7)13-8(14-10)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 70307629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).