4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile

C23H19N3O3 — CID 164615745

IUPAC4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc(C#N)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C23H19N3O3/c1-27-20-11-17(12-21(28-2)23(20)29-3)22-18-10-16(8-9-19(18)25-26-22)15-6-4-14(13-24)5-7-15/h4-12H,1-3H3,(H,25,26)
InChIKeyKVZWYAVAMOJSPV-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.79
Rot. Bonds5

About 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile

4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile (PubChem CID 164615745) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile
PubChem CID164615745
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc(C#N)cc4)cc23)cc(OC)c1OC
InChIInChI=1S/C23H19N3O3/c1-27-20-11-17(12-21(28-2)23(20)29-3)22-18-10-16(8-9-19(18)25-26-22)15-6-4-14(13-24)5-7-15/h4-12H,1-3H3,(H,25,26)
InChIKeyKVZWYAVAMOJSPV-UHFFFAOYSA-N
XLogP4.79
TPSA80.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 137348793
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide
CID 67206797
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178
2-methoxy-5-(6,7,8-trimethoxy-4,5-dihydro-3H-benzo[e]indazol-1-yl)aniline
CID 149519106
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11209992
5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11710445
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
1-(3-fluoro-4-methoxyphenyl)-6,7,8-trimethoxy-4,5-dihydro-3H-benzo[e]indazole
CID 141477181
4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
(2s)-2-Cyano-N-(1-Hydroxy-2-Methylpropan-2-Yl)-3-[3-(3,4,5-Trimethoxyphenyl)-1h-Indazol-5-Yl]propanamide
CID 78225314
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11393297
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]indazole
CID 164613941

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile (CID 164615745) is 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile is COc1cc(-c2n[nH]c3ccc(-c4ccc(C#N)cc4)cc23)cc(OC)c1OC.
What is the InChIKey of 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile?
The InChIKey is KVZWYAVAMOJSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-27-20-11-17(12-21(28-2)23(20)29-3)22-18-10-16(8-9-19(18)25-26-22)15-6-4-14(13-24)5-7-15/h4-12H,1-3H3,(H,25,26).
What are the key properties of 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile?
4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile has a molecular weight of 385.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]benzonitrile is sourced from PubChem (CID 164615745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).