2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid

C13H16N4O2 — CID 79820848

IUPAC2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
SMILESNc1ccc2[nH]c(C3CCCCC3C(=O)O)nc2n1
InChIInChI=1S/C13H16N4O2/c14-10-6-5-9-12(16-10)17-11(15-9)7-3-1-2-4-8(7)13(18)19/h5-8H,1-4H2,(H,18,19)(H3,14,15,16,17)
InChIKeyHWWPVJFVTOQCRK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.90
Rot. Bonds2

About 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid

2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 79820848) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
PubChem CID79820848
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
SMILESNc1ccc2[nH]c(C3CCCCC3C(=O)O)nc2n1
InChIInChI=1S/C13H16N4O2/c14-10-6-5-9-12(16-10)17-11(15-9)7-3-1-2-4-8(7)13(18)19/h5-8H,1-4H2,(H,18,19)(H3,14,15,16,17)
InChIKeyHWWPVJFVTOQCRK-UHFFFAOYSA-N
XLogP1.90
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid (CID 79820848) is 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid is Nc1ccc2[nH]c(C3CCCCC3C(=O)O)nc2n1.
What is the InChIKey of 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is HWWPVJFVTOQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-10-6-5-9-12(16-10)17-11(15-9)7-3-1-2-4-8(7)13(18)19/h5-8H,1-4H2,(H,18,19)(H3,14,15,16,17).
What are the key properties of 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid?
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79820848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).