5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile

C9H9N5 — CID 10261861

IUPAC5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile
SMILESCc1nc2cc(C#N)c(N)nc2n1C
InChIInChI=1S/C9H9N5/c1-5-12-7-3-6(4-10)8(11)13-9(7)14(5)2/h3H,1-2H3,(H2,11,13)
InChIKeyCODPTDGOWAENSC-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.73
Rot. Bonds

About 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile

5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 10261861) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID10261861
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile
SMILESCc1nc2cc(C#N)c(N)nc2n1C
InChIInChI=1S/C9H9N5/c1-5-12-7-3-6(4-10)8(11)13-9(7)14(5)2/h3H,1-2H3,(H2,11,13)
InChIKeyCODPTDGOWAENSC-UHFFFAOYSA-N
XLogP0.73
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile (CID 10261861) is 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile is Cc1nc2cc(C#N)c(N)nc2n1C.
What is the InChIKey of 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is CODPTDGOWAENSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c1-5-12-7-3-6(4-10)8(11)13-9(7)14(5)2/h3H,1-2H3,(H2,11,13).
What are the key properties of 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile?
5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 187.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 10261861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).