4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide

C22H25N7O — CID 155792161

IUPAC4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
SMILESCCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12
InChIInChI=1S/C22H25N7O/c1-5-16-17-12-23-27-19(17)11-10-18(16)25-22-26-20(28-29(22)4)14-6-8-15(9-7-14)21(30)24-13(2)3/h6-13H,5H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28)
InChIKeyRSUXDQXEJVPULP-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.80
Rot. Bonds6

About 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide

4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 155792161) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID155792161
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
SMILESCCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12
InChIInChI=1S/C22H25N7O/c1-5-16-17-12-23-27-19(17)11-10-18(16)25-22-26-20(28-29(22)4)14-6-8-15(9-7-14)21(30)24-13(2)3/h6-13H,5H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28)
InChIKeyRSUXDQXEJVPULP-UHFFFAOYSA-N
XLogP3.80
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide 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 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide (CID 155792161) is 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide is CCc1c(Nc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12.
What is the InChIKey of 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is RSUXDQXEJVPULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-5-16-17-12-23-27-19(17)11-10-18(16)25-22-26-20(28-29(22)4)14-6-8-15(9-7-14)21(30)24-13(2)3/h6-13H,5H2,1-4H3,(H,23,27)(H,24,30)(H,25,26,28).
What are the key properties of 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 155792161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).