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

C21H19N3O2 — CID 168877288

IUPAC4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
SMILESCOc1ccc(Cn2ncc3c(C4=CCCC4)cc(O)c(C#N)c32)cc1
InChIInChI=1S/C21H19N3O2/c1-26-16-8-6-14(7-9-16)13-24-21-18(11-22)20(25)10-17(19(21)12-23-24)15-4-2-3-5-15/h4,6-10,12,25H,2-3,5,13H2,1H3
InChIKeyFVGYXQQHOMAEJJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.24
Rot. Bonds4

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

4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile (PubChem CID 168877288) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
PubChem CID168877288
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
SMILESCOc1ccc(Cn2ncc3c(C4=CCCC4)cc(O)c(C#N)c32)cc1
InChIInChI=1S/C21H19N3O2/c1-26-16-8-6-14(7-9-16)13-24-21-18(11-22)20(25)10-17(19(21)12-23-24)15-4-2-3-5-15/h4,6-10,12,25H,2-3,5,13H2,1H3
InChIKeyFVGYXQQHOMAEJJ-UHFFFAOYSA-N
XLogP4.24
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
CID 168877274
6-(methoxymethoxy)-1-[(4-methoxyphenyl)methyl]-4-(2-methylpyrrolidin-1-yl)indazole-7-carbonitrile
CID 175429768
[7-cyano-1-[(4-methoxyphenyl)methyl]indazol-6-yl] trifluoromethanesulfonate
CID 168877216
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 168931973
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
5-chloro-2-[4-(cyclohexen-1-yl)phenyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904501
5-but-3-en-2-yl-1-[(4-methoxyphenyl)methyl]pyrazol-4-ol
CID 177454351
8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one
CID 58412378
6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25252382

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
The IUPAC name of 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile (CID 168877288) is 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile.
What is the SMILES notation for 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
The canonical SMILES for 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile is COc1ccc(Cn2ncc3c(C4=CCCC4)cc(O)c(C#N)c32)cc1.
What is the InChIKey of 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
The InChIKey is FVGYXQQHOMAEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-16-8-6-14(7-9-16)13-24-21-18(11-22)20(25)10-17(19(21)12-23-24)15-4-2-3-5-15/h4,6-10,12,25H,2-3,5,13H2,1H3.
What are the key properties of 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile?
4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile has a molecular weight of 345.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile is sourced from PubChem (CID 168877288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).