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

C14H17N3O3 — CID 114391726

IUPAC2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc2[nH]c(C3CC(C)CC3C(=O)O)nc2n1
InChIInChI=1S/C14H17N3O3/c1-7-5-8(9(6-7)14(18)19)12-15-10-3-4-11(20-2)16-13(10)17-12/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJYTXJRQBFAIJRE-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.18
Rot. Bonds3

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

2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391726) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391726
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc2[nH]c(C3CC(C)CC3C(=O)O)nc2n1
InChIInChI=1S/C14H17N3O3/c1-7-5-8(9(6-7)14(18)19)12-15-10-3-4-11(20-2)16-13(10)17-12/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJYTXJRQBFAIJRE-UHFFFAOYSA-N
XLogP2.18
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
CID 114512460
2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79815805
2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 81137693
5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622389
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79795345
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine
CID 66235780
4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392952
2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid
CID 65484026
5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 65483260
2-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 79820848
5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 65484248
2-(2,3-dihydro-1H-indol-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65485005

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid (CID 114391726) is 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid is COc1ccc2[nH]c(C3CC(C)CC3C(=O)O)nc2n1.
What is the InChIKey of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is JYTXJRQBFAIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7-5-8(9(6-7)14(18)19)12-15-10-3-4-11(20-2)16-13(10)17-12/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid?
2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).