[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate

C16H17N5O2 — CID 91662303

IUPAC[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCn1cnc2cc(C(=O)O[C@@H]3CCC[C@H]3n3cccn3)cnc21
InChIInChI=1S/C16H17N5O2/c1-20-10-18-12-8-11(9-17-15(12)20)16(22)23-14-5-2-4-13(14)21-7-3-6-19-21/h3,6-10,13-14H,2,4-5H2,1H3/t13-,14-/m1/s1
InChIKeyLKUOBZNYIKSION-ZIAGYGMSSA-N
MW311.35 g/mol
LogP2.12
Rot. Bonds3

About [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate

[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 91662303) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate
PubChem CID91662303
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate
SMILESCn1cnc2cc(C(=O)O[C@@H]3CCC[C@H]3n3cccn3)cnc21
InChIInChI=1S/C16H17N5O2/c1-20-10-18-12-8-11(9-17-15(12)20)16(22)23-14-5-2-4-13(14)21-7-3-6-19-21/h3,6-10,13-14H,2,4-5H2,1H3/t13-,14-/m1/s1
InChIKeyLKUOBZNYIKSION-ZIAGYGMSSA-N
XLogP2.12
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate (CID 91662303) is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate is Cn1cnc2cc(C(=O)O[C@@H]3CCC[C@H]3n3cccn3)cnc21.
What is the InChIKey of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is LKUOBZNYIKSION-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20-10-18-12-8-11(9-17-15(12)20)16(22)23-14-5-2-4-13(14)21-7-3-6-19-21/h3,6-10,13-14H,2,4-5H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate?
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 311.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 91662303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).