2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile

C19H12N4O — CID 166551420

IUPAC2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C19H12N4O/c20-12-14-3-1-2-4-18(14)24-15-5-6-17-16(11-15)19(23-22-17)13-7-9-21-10-8-13/h1-11H,(H,22,23)
InChIKeyVLHOIKJZIFODTH-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.29
Rot. Bonds3

About 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile

2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile (PubChem CID 166551420) has the molecular formula C19H12N4O and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile.

Molecular Properties

Compound Name2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile
PubChem CID166551420
Molecular FormulaC19H12N4O
Molecular Weight312.33 g/mol
Exact Mass312.10
IUPAC Name2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C19H12N4O/c20-12-14-3-1-2-4-18(14)24-15-5-6-17-16(11-15)19(23-22-17)13-7-9-21-10-8-13/h1-11H,(H,22,23)
InChIKeyVLHOIKJZIFODTH-UHFFFAOYSA-N
XLogP4.29
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

A-674563
CID 11314340
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile
CID 252139
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-(3-phenylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731507
5-{5-[(2S)-2-amino-3-(3-fluorophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731988
5-{5-[(2S)-2-amino-3-(2,4,6-trimethylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732278
5-{5-[(2S)-2-amino-3-[3-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732417
5-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647008
5-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647009
5-{5-[(3S)-3-amino-4-phenylbutoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647010

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile?
The IUPAC name of 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile (CID 166551420) is 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile.
What is the SMILES notation for 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile?
The canonical SMILES for 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile is N#Cc1ccccc1Oc1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile?
The InChIKey is VLHOIKJZIFODTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O/c20-12-14-3-1-2-4-18(14)24-15-5-6-17-16(11-15)19(23-22-17)13-7-9-21-10-8-13/h1-11H,(H,22,23).
What are the key properties of 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile?
2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile has a molecular weight of 312.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-4-yl-1H-indazol-5-yl)oxy]benzonitrile is sourced from PubChem (CID 166551420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).