2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine

C13H18N4 — CID 117166385

IUPAC2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cccnc2n1C1CCCN1
InChIInChI=1S/C13H18N4/c1-9(2)12-16-10-5-3-8-15-13(10)17(12)11-6-4-7-14-11/h3,5,8-9,11,14H,4,6-7H2,1-2H3
InChIKeyPWISCDZRPMQOQS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.44
Rot. Bonds2

About 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine

2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117166385) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
PubChem CID117166385
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
SMILESCC(C)c1nc2cccnc2n1C1CCCN1
InChIInChI=1S/C13H18N4/c1-9(2)12-16-10-5-3-8-15-13(10)17(12)11-6-4-7-14-11/h3,5,8-9,11,14H,4,6-7H2,1-2H3
InChIKeyPWISCDZRPMQOQS-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine (CID 117166385) is 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine is CC(C)c1nc2cccnc2n1C1CCCN1.
What is the InChIKey of 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is PWISCDZRPMQOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)12-16-10-5-3-8-15-13(10)17(12)11-6-4-7-14-11/h3,5,8-9,11,14H,4,6-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine?
2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117166385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).