N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide

C26H21ClN6O — CID 68736864

IUPACN-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12)c1cccc(Cl)c1
InChIInChI=1S/C26H21ClN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)
InChIKeyBJOQXWAFYQADST-UHFFFAOYSA-N
MW468.95 g/mol
LogP5.65
Rot. Bonds6

About N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide

N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide (PubChem CID 68736864) has the molecular formula C26H21ClN6O and a molecular weight of 468.95 g/mol. Its IUPAC name is N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide
PubChem CID68736864
Molecular FormulaC26H21ClN6O
Molecular Weight468.95 g/mol
Exact Mass468.15
IUPAC NameN-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12)c1cccc(Cl)c1
InChIInChI=1S/C26H21ClN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)
InChIKeyBJOQXWAFYQADST-UHFFFAOYSA-N
XLogP5.65
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.95
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide 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 N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide?
The IUPAC name of N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide (CID 68736864) is N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide?
The canonical SMILES for N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide is O=C(Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12)c1cccc(Cl)c1.
What is the InChIKey of N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide?
The InChIKey is BJOQXWAFYQADST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34).
What are the key properties of N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide?
N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide has a molecular weight of 468.95 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzyl-5-cyclopropyltriazol-4-yl)-1H-indazol-3-yl]-3-chlorobenzamide is sourced from PubChem (CID 68736864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).