3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid

C15H19N3O2 — CID 103551660

IUPAC3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)n1c(C2CCC(C(=O)O)C2)nc2cccnc21
InChIInChI=1S/C15H19N3O2/c1-9(2)18-13(10-5-6-11(8-10)15(19)20)17-12-4-3-7-16-14(12)18/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyJELFJGZCZYBCLZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.98
Rot. Bonds3

About 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid

3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551660) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551660
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)n1c(C2CCC(C(=O)O)C2)nc2cccnc21
InChIInChI=1S/C15H19N3O2/c1-9(2)18-13(10-5-6-11(8-10)15(19)20)17-12-4-3-7-16-14(12)18/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,19,20)
InChIKeyJELFJGZCZYBCLZ-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551605
N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexanecarboxamide
CID 53143762
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)thiomorpholine
CID 82904097
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
2-cyclopentyl-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488833
trans-(1S,3S)-3-(2-oxo-3-phenyl-[1,2,4]triazino[2,3-c]quinazolin-6-yl)cyclopentane-1-carboxylic acid
CID 99803172
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
CID 117160904
3-(1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 66032382
3-methyl-2-(1-propan-2-ylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163034
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid (CID 103551660) is 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid is CC(C)n1c(C2CCC(C(=O)O)C2)nc2cccnc21.
What is the InChIKey of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is JELFJGZCZYBCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)18-13(10-5-6-11(8-10)15(19)20)17-12-4-3-7-16-14(12)18/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid?
3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).