1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile

C17H12N4O — CID 67447370

IUPAC1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile
SMILESCC(=O)n1nc(/C=C/c2ccncc2)c2ccc(C#N)cc21
InChIInChI=1S/C17H12N4O/c1-12(22)21-17-10-14(11-18)2-4-15(17)16(20-21)5-3-13-6-8-19-9-7-13/h2-10H,1H3/b5-3+
InChIKeyKORNUGWRUWLMCQ-HWKANZROSA-N
MW288.31 g/mol
LogP3.13
Rot. Bonds2

About 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile

1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile (PubChem CID 67447370) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile.

Molecular Properties

Compound Name1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile
PubChem CID67447370
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile
SMILESCC(=O)n1nc(/C=C/c2ccncc2)c2ccc(C#N)cc21
InChIInChI=1S/C17H12N4O/c1-12(22)21-17-10-14(11-18)2-4-15(17)16(20-21)5-3-13-6-8-19-9-7-13/h2-10H,1H3/b5-3+
InChIKeyKORNUGWRUWLMCQ-HWKANZROSA-N
XLogP3.13
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139038975
3-formyl-1-methylindazole-6-carbonitrile
CID 86728966
1-acetylbenzotriazole-5-carbonitrile
CID 134298701
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
9-[5-cyano-3-(2,7-dicyanocarbazol-9-yl)-2-pyridin-4-ylphenyl]carbazole-2,7-dicarbonitrile
CID 134292629
4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
CID 101213643
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
tert-butyl 3-chloro-6-cyanoindole-1-carboxylate
CID 119081590
ethyl 2-(3-carbamoyl-6-cyanoindazol-1-yl)acetate
CID 130300163
4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzonitrile
CID 174884177
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole-6-carbonitrile
CID 146280531
methyl 5-[2-(4-cyanophenyl)ethenyl]-1-benzothiophene-2-carboxylate
CID 57038464

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile?
The IUPAC name of 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile (CID 67447370) is 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile.
What is the SMILES notation for 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile?
The canonical SMILES for 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile is CC(=O)n1nc(/C=C/c2ccncc2)c2ccc(C#N)cc21.
What is the InChIKey of 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile?
The InChIKey is KORNUGWRUWLMCQ-HWKANZROSA-N. The full InChI is InChI=1S/C17H12N4O/c1-12(22)21-17-10-14(11-18)2-4-15(17)16(20-21)5-3-13-6-8-19-9-7-13/h2-10H,1H3/b5-3+.
What are the key properties of 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile?
1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-6-carbonitrile is sourced from PubChem (CID 67447370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).