3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

C21H23N5O2 — CID 21092484

IUPAC3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1OC
InChIInChI=1S/C21H23N5O2/c1-12(2)9-19-22-21(26-24-19)14-5-7-16-15(10-14)20(25-23-16)13-6-8-17(27-3)18(11-13)28-4/h5-8,10-12H,9H2,1-4H3,(H,23,25)(H,22,24,26)
InChIKeyKADVOAXZEUACDR-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.23
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole

3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 21092484) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID21092484
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1OC
InChIInChI=1S/C21H23N5O2/c1-12(2)9-19-22-21(26-24-19)14-5-7-16-15(10-14)20(25-23-16)13-6-8-17(27-3)18(11-13)28-4/h5-8,10-12H,9H2,1-4H3,(H,23,25)(H,22,24,26)
InChIKeyKADVOAXZEUACDR-UHFFFAOYSA-N
XLogP4.23
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole 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-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 21092484) is 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is KADVOAXZEUACDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12(2)9-19-22-21(26-24-19)14-5-7-16-15(10-14)20(25-23-16)13-6-8-17(27-3)18(11-13)28-4/h5-8,10-12H,9H2,1-4H3,(H,23,25)(H,22,24,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 377.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 21092484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).