5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile

C15H9N5 — CID 167882024

IUPAC5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile
SMILESCn1c(-c2cc(C#N)cc(C#N)c2)nc2ncccc21
InChIInChI=1S/C15H9N5/c1-20-13-3-2-4-18-14(13)19-15(20)12-6-10(8-16)5-11(7-12)9-17/h2-7H,1H3
InChIKeyMXGNTORKEBFRPB-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.38
Rot. Bonds1

About 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile

5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile (PubChem CID 167882024) has the molecular formula C15H9N5 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile
PubChem CID167882024
Molecular FormulaC15H9N5
Molecular Weight259.27 g/mol
Exact Mass259.09
IUPAC Name5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile
SMILESCn1c(-c2cc(C#N)cc(C#N)c2)nc2ncccc21
InChIInChI=1S/C15H9N5/c1-20-13-3-2-4-18-14(13)19-15(20)12-6-10(8-16)5-11(7-12)9-17/h2-7H,1H3
InChIKeyMXGNTORKEBFRPB-UHFFFAOYSA-N
XLogP2.38
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline
CID 114113127
2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
CID 136756257
3-methyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenol
CID 137004995
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
CID 21260450
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
4-methyl-5-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 114113082
1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine
CID 167946530
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[2-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
CID 18621426
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
1,8-naphthyridine-3-carbonitrile
CID 54038594
5-[4,6-bis(3,5-dicyanophenyl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
CID 102441956
1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
CID 123248615

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile (CID 167882024) is 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile is Cn1c(-c2cc(C#N)cc(C#N)c2)nc2ncccc21.
What is the InChIKey of 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile?
The InChIKey is MXGNTORKEBFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5/c1-20-13-3-2-4-18-14(13)19-15(20)12-6-10(8-16)5-11(7-12)9-17/h2-7H,1H3.
What are the key properties of 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile?
5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile has a molecular weight of 259.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 167882024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).