[5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone

C23H24N6O — CID 154459878

IUPAC[5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone
SMILESCN1CCCCC1C(=O)n1ncc2cc(-c3cn(Cc4ccccc4)nn3)ccc21
InChIInChI=1S/C23H24N6O/c1-27-12-6-5-9-22(27)23(30)29-21-11-10-18(13-19(21)14-24-29)20-16-28(26-25-20)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,13-14,16,22H,5-6,9,12,15H2,1H3
InChIKeyGJQUMRCXIXNAOQ-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.47
Rot. Bonds4

About [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone

[5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone (PubChem CID 154459878) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone
PubChem CID154459878
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name[5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone
SMILESCN1CCCCC1C(=O)n1ncc2cc(-c3cn(Cc4ccccc4)nn3)ccc21
InChIInChI=1S/C23H24N6O/c1-27-12-6-5-9-22(27)23(30)29-21-11-10-18(13-19(21)14-24-29)20-16-28(26-25-20)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,13-14,16,22H,5-6,9,12,15H2,1H3
InChIKeyGJQUMRCXIXNAOQ-UHFFFAOYSA-N
XLogP3.47
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone 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

(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991199
5-(1-benzyltriazol-4-yl)-1H-indazole;1H-indazole
CID 159250307
[3-(1-benzyltriazol-4-yl)phenyl] N-methylcarbamate
CID 66593699
[5-(1-acetylindazol-5-yl)-3-benzyltriazol-4-yl] acetate
CID 174599685
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate
CID 70979242
1-benzyl-5-(6-piperidin-1-yl-2-pyridinyl)indazole
CID 90893052
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone?
The IUPAC name of [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone (CID 154459878) is [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone.
What is the SMILES notation for [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone?
The canonical SMILES for [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone is CN1CCCCC1C(=O)n1ncc2cc(-c3cn(Cc4ccccc4)nn3)ccc21.
What is the InChIKey of [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone?
The InChIKey is GJQUMRCXIXNAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-27-12-6-5-9-22(27)23(30)29-21-11-10-18(13-19(21)14-24-29)20-16-28(26-25-20)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,13-14,16,22H,5-6,9,12,15H2,1H3.
What are the key properties of [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone?
[5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone has a molecular weight of 400.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzyltriazol-4-yl)indazol-1-yl]-(1-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 154459878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).