5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile

C19H14N6O — CID 135620674

IUPAC5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cncc(C#N)c3)[nH]c2c1
InChIInChI=1S/C19H14N6O/c1-26-15-4-5-16-17(7-15)24-19(23-16)18-14(11-22-25-18)3-2-12-6-13(8-20)10-21-9-12/h2-7,9-11H,1H3,(H,22,25)(H,23,24)/b3-2+
InChIKeyKKTHQEGRHGWTAG-NSCUHMNNSA-N
MW342.36 g/mol
LogP3.40
Rot. Bonds4

About 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile

5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile (PubChem CID 135620674) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile
PubChem CID135620674
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cncc(C#N)c3)[nH]c2c1
InChIInChI=1S/C19H14N6O/c1-26-15-4-5-16-17(7-15)24-19(23-16)18-14(11-22-25-18)3-2-12-6-13(8-20)10-21-9-12/h2-7,9-11H,1H3,(H,22,25)(H,23,24)/b3-2+
InChIKeyKKTHQEGRHGWTAG-NSCUHMNNSA-N
XLogP3.40
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-Dimethoxyphenyl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 68291131
3-[5-(5-Ethoxy-6-Fluoro-1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]-1,1-Diethylurea
CID 135566617
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11174936
6-(1H-Benzoimidazol-2-yl)-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179680
3-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766930
4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766931
3,4-dimethoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766933
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 54767086
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
6-(1H-indazol-6-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473273

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile (CID 135620674) is 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile is COc1ccc2nc(-c3[nH]ncc3/C=C/c3cncc(C#N)c3)[nH]c2c1.
What is the InChIKey of 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile?
The InChIKey is KKTHQEGRHGWTAG-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H14N6O/c1-26-15-4-5-16-17(7-15)24-19(23-16)18-14(11-22-25-18)3-2-12-6-13(8-20)10-21-9-12/h2-7,9-11H,1H3,(H,22,25)(H,23,24)/b3-2+.
What are the key properties of 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile?
5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135620674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).