3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid

C21H20N6O3 — CID 67981302

IUPAC3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cn(-c4ccc(CN5CCOCC5)cc4)nn3)c2c1
InChIInChI=1S/C21H20N6O3/c28-21(29)15-3-6-18-17(11-15)20(24-22-18)19-13-27(25-23-19)16-4-1-14(2-5-16)12-26-7-9-30-10-8-26/h1-6,11,13H,7-10,12H2,(H,22,24)(H,28,29)
InChIKeyKQJSEJDSIFAYQB-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.34
Rot. Bonds5

About 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid

3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid (PubChem CID 67981302) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid
PubChem CID67981302
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cn(-c4ccc(CN5CCOCC5)cc4)nn3)c2c1
InChIInChI=1S/C21H20N6O3/c28-21(29)15-3-6-18-17(11-15)20(24-22-18)19-13-27(25-23-19)16-4-1-14(2-5-16)12-26-7-9-30-10-8-26/h1-6,11,13H,7-10,12H2,(H,22,24)(H,28,29)
InChIKeyKQJSEJDSIFAYQB-UHFFFAOYSA-N
XLogP2.34
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

[4-[4-[5-[(3-hydroxyazetidin-1-yl)methyl]-1H-indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57406020
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
6-(3,5-difluorophenyl)-2-[[3-[1-[4-(morpholine-4-carbonyl)phenyl]triazol-4-yl]-1H-indazol-5-yl]methyl]pyridazin-3-one
CID 57407297
4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine
CID 57406915
[4-[4-[6-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-1H-indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 88576132
[4-[4-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]triazol-1-yl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 155067285
CID 59303659
CID 59303659
3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 39219859
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
4-[[4-(triazol-1-yl)phenyl]methyl]morpholine
CID 141342555

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid (CID 67981302) is 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(-c3cn(-c4ccc(CN5CCOCC5)cc4)nn3)c2c1.
What is the InChIKey of 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid?
The InChIKey is KQJSEJDSIFAYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-21(29)15-3-6-18-17(11-15)20(24-22-18)19-13-27(25-23-19)16-4-1-14(2-5-16)12-26-7-9-30-10-8-26/h1-6,11,13H,7-10,12H2,(H,22,24)(H,28,29).
What are the key properties of 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid?
3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid has a molecular weight of 404.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 67981302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).