2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine

C13H18N4 — CID 117162576

IUPAC2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1c1nc2ncccc2[nH]1
InChIInChI=1S/C13H18N4/c1-9(2)17-8-4-6-11(17)13-15-10-5-3-7-14-12(10)16-13/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,14,15,16)
InChIKeyRMLPPOMDQJJQDM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds2

About 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine

2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 117162576) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID117162576
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)N1CCCC1c1nc2ncccc2[nH]1
InChIInChI=1S/C13H18N4/c1-9(2)17-8-4-6-11(17)13-15-10-5-3-7-14-12(10)16-13/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,14,15,16)
InChIKeyRMLPPOMDQJJQDM-UHFFFAOYSA-N
XLogP2.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine (CID 117162576) is 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine is CC(C)N1CCCC1c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is RMLPPOMDQJJQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)17-8-4-6-11(17)13-15-10-5-3-7-14-12(10)16-13/h3,5,7,9,11H,4,6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine?
2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).