3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

C20H19N3O2 — CID 22479756

IUPAC3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESCOc1ccc(-c2nn(C3CCCCO3)c3ccc(C#N)cc23)cc1
InChIInChI=1S/C20H19N3O2/c1-24-16-8-6-15(7-9-16)20-17-12-14(13-21)5-10-18(17)23(22-20)19-4-2-3-11-25-19/h5-10,12,19H,2-4,11H2,1H3
InChIKeyRXQMRUUVMQVVRZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.28
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (PubChem CID 22479756) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
PubChem CID22479756
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESCOc1ccc(-c2nn(C3CCCCO3)c3ccc(C#N)cc23)cc1
InChIInChI=1S/C20H19N3O2/c1-24-16-8-6-15(7-9-16)20-17-12-14(13-21)5-10-18(17)23(22-20)19-4-2-3-11-25-19/h5-10,12,19H,2-4,11H2,1H3
InChIKeyRXQMRUUVMQVVRZ-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

Analyze 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The IUPAC name of 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (CID 22479756) is 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is COc1ccc(-c2nn(C3CCCCO3)c3ccc(C#N)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The InChIKey is RXQMRUUVMQVVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-16-8-6-15(7-9-16)20-17-12-14(13-21)5-10-18(17)23(22-20)19-4-2-3-11-25-19/h5-10,12,19H,2-4,11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
3-(4-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-(4-methoxyphenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is sourced from PubChem (CID 22479756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).