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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Related Compounds

2-fluoro-4-[3-(2-methylphenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]benzonitrile
CID 155042041
2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
CID 123666107
2-phenylsulfanyl-4-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 25058119
4-piperidin-1-ylpyrimidine-2-carbonitrile
CID 130587546
4-[3-(4-cyclopropylphenyl)-7-[3-(methylamino)piperidin-1-yl]imidazo[4,5-b]pyridin-2-yl]benzonitrile
CID 154665605
3-fluoro-2-methyl-4-pyrrolidin-1-ylpyridine
CID 141285362
5-methyl-8-piperidin-1-ylquinoxaline
CID 129257471
2-fluoro-3-methyl-4-pyrrolidin-1-ylpyridine
CID 66850226
2,3-diphenyl-8-pyrrolidin-1-ylpyrido[2,3-b]pyrazine
CID 15152404
2-methyl-4-piperidin-1-ylpyridin-3-amine
CID 84663570
4-(azetidin-1-yl)pyrimidine-2-carbonitrile
CID 126984085
4-[3-(4-cyclopentyloxy-2-fluorophenyl)-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
CID 166833990

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).