6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile

C16H13N3O2 — CID 168877274

IUPAC6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
SMILESCOc1ccc(Cn2ncc3ccc(O)c(C#N)c32)cc1
InChIInChI=1S/C16H13N3O2/c1-21-13-5-2-11(3-6-13)10-19-16-12(9-18-19)4-7-15(20)14(16)8-17/h2-7,9,20H,10H2,1H3
InChIKeyANJHPOMOIZCNQU-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds3

About 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile

6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile (PubChem CID 168877274) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
PubChem CID168877274
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
SMILESCOc1ccc(Cn2ncc3ccc(O)c(C#N)c32)cc1
InChIInChI=1S/C16H13N3O2/c1-21-13-5-2-11(3-6-13)10-19-16-12(9-18-19)4-7-15(20)14(16)8-17/h2-7,9,20H,10H2,1H3
InChIKeyANJHPOMOIZCNQU-UHFFFAOYSA-N
XLogP2.67
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[7-cyano-1-[(4-methoxyphenyl)methyl]indazol-6-yl] trifluoromethanesulfonate
CID 168877216
4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
CID 168877288
6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 168931973
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
[1-[(4-methoxyphenyl)methyl]indazol-6-yl]hydrazine
CID 155304137
5-but-3-en-2-yl-1-[(4-methoxyphenyl)methyl]pyrazol-4-ol
CID 177454351
6-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 150500294
6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile
CID 175429768
carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
CID 159506500
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
2-benzyl-5-methoxy-3-oxopyridazine-4-carbonitrile
CID 44604082

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
The IUPAC name of 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile (CID 168877274) is 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
The canonical SMILES for 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile is COc1ccc(Cn2ncc3ccc(O)c(C#N)c32)cc1.
What is the InChIKey of 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
The InChIKey is ANJHPOMOIZCNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-13-5-2-11(3-6-13)10-19-16-12(9-18-19)4-7-15(20)14(16)8-17/h2-7,9,20H,10H2,1H3.
What are the key properties of 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile is sourced from PubChem (CID 168877274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).