3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

C20H19N3O2 — CID 22480142

IUPAC3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESCOc1ccccc1-c1nn(C2CCCCO2)c2ccc(C#N)cc12
InChIInChI=1S/C20H19N3O2/c1-24-18-7-3-2-6-15(18)20-16-12-14(13-21)9-10-17(16)23(22-20)19-8-4-5-11-25-19/h2-3,6-7,9-10,12,19H,4-5,8,11H2,1H3
InChIKeyGNWNYPKRWRPYGW-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.28
Rot. Bonds3

About 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (PubChem CID 22480142) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
PubChem CID22480142
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESCOc1ccccc1-c1nn(C2CCCCO2)c2ccc(C#N)cc12
InChIInChI=1S/C20H19N3O2/c1-24-18-7-3-2-6-15(18)20-16-12-14(13-21)9-10-17(16)23(22-20)19-8-4-5-11-25-19/h2-3,6-7,9-10,12,19H,4-5,8,11H2,1H3
InChIKeyGNWNYPKRWRPYGW-UHFFFAOYSA-N
XLogP4.28
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The IUPAC name of 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (CID 22480142) is 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is COc1ccccc1-c1nn(C2CCCCO2)c2ccc(C#N)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The InChIKey is GNWNYPKRWRPYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-18-7-3-2-6-15(18)20-16-12-14(13-21)9-10-17(16)23(22-20)19-8-4-5-11-25-19/h2-3,6-7,9-10,12,19H,4-5,8,11H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is sourced from PubChem (CID 22480142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).