3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile

C12H13N5 — CID 84691204

IUPAC3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile
SMILESCn1c(C#N)nc2c(N3CCCC3)ccnc21
InChIInChI=1S/C12H13N5/c1-16-10(8-13)15-11-9(4-5-14-12(11)16)17-6-2-3-7-17/h4-5H,2-3,6-7H2,1H3
InChIKeyUVHIODJYXHWBNR-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.44
Rot. Bonds1

About 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile

3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile (PubChem CID 84691204) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile
PubChem CID84691204
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile
SMILESCn1c(C#N)nc2c(N3CCCC3)ccnc21
InChIInChI=1S/C12H13N5/c1-16-10(8-13)15-11-9(4-5-14-12(11)16)17-6-2-3-7-17/h4-5H,2-3,6-7H2,1H3
InChIKeyUVHIODJYXHWBNR-UHFFFAOYSA-N
XLogP1.44
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile?
The IUPAC name of 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile (CID 84691204) is 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile is Cn1c(C#N)nc2c(N3CCCC3)ccnc21.
What is the InChIKey of 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile?
The InChIKey is UVHIODJYXHWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-16-10(8-13)15-11-9(4-5-14-12(11)16)17-6-2-3-7-17/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile?
3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-pyrrolidin-1-ylimidazo[4,5-b]pyridine-2-carbonitrile is sourced from PubChem (CID 84691204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).