3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine

C18H11N5 — CID 140738834

IUPAC3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccccn3)cn12
InChIInChI=1S/C18H11N5/c1-19-17-11-22-16-8-7-13(12-23(16)17)14-5-4-10-21-18(14)15-6-2-3-9-20-15/h2-12H
InChIKeyVGJBJPGAFWUEDH-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.01
Rot. Bonds2

About 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine

3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine (PubChem CID 140738834) has the molecular formula C18H11N5 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
PubChem CID140738834
Molecular FormulaC18H11N5
Molecular Weight297.32 g/mol
Exact Mass297.10
IUPAC Name3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccccn3)cn12
InChIInChI=1S/C18H11N5/c1-19-17-11-22-16-8-7-13(12-23(16)17)14-5-4-10-21-18(14)15-6-2-3-9-20-15/h2-12H
InChIKeyVGJBJPGAFWUEDH-UHFFFAOYSA-N
XLogP4.01
TPSA47.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-[2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140738843
3-(nitrosomethyl)-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134546542
3-(4-methylphenyl)-2-pyridin-2-ylpyridine
CID 138756955
3-isocyano-6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
CID 153434233
2,3-dipyridin-2-ylpyridine;platinum
CID 87064106
amino-[6-[2-(6-methoxy-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 134546506
6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylic acid
CID 122478569
6-[1,5-dimethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 153434340
6-ethenyl-3-isocyanoimidazo[1,2-a]pyridine
CID 140737263
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
copper;2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine
CID 175437011
2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434279

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine (CID 140738834) is 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccccn3)cn12.
What is the InChIKey of 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
The InChIKey is VGJBJPGAFWUEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5/c1-19-17-11-22-16-8-7-13(12-23(16)17)14-5-4-10-21-18(14)15-6-2-3-9-20-15/h2-12H.
What are the key properties of 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine?
3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine has a molecular weight of 297.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-6-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 140738834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).