4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C26H24F3N7O2 — CID 53465031

IUPAC4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCOC3)c2)nn1
InChIInChI=1S/C26H24F3N7O2/c1-16-3-4-17(25(37)32-24-11-19(5-7-31-24)26(27,28)29)10-23(16)36-14-22(33-34-36)18-9-21(13-30-12-18)35(2)20-6-8-38-15-20/h3-5,7,9-14,20H,6,8,15H2,1-2H3,(H,31,32,37)
InChIKeyQZLYEEJKBKZBIR-UHFFFAOYSA-N
MW523.52 g/mol
LogP4.53
Rot. Bonds6

About 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 53465031) has the molecular formula C26H24F3N7O2 and a molecular weight of 523.52 g/mol. Its IUPAC name is 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID53465031
Molecular FormulaC26H24F3N7O2
Molecular Weight523.52 g/mol
Exact Mass523.19
IUPAC Name4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCOC3)c2)nn1
InChIInChI=1S/C26H24F3N7O2/c1-16-3-4-17(25(37)32-24-11-19(5-7-31-24)26(27,28)29)10-23(16)36-14-22(33-34-36)18-9-21(13-30-12-18)35(2)20-6-8-38-15-20/h3-5,7,9-14,20H,6,8,15H2,1-2H3,(H,31,32,37)
InChIKeyQZLYEEJKBKZBIR-UHFFFAOYSA-N
XLogP4.53
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide 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-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 53465031) is 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCOC3)c2)nn1.
What is the InChIKey of 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is QZLYEEJKBKZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O2/c1-16-3-4-17(25(37)32-24-11-19(5-7-31-24)26(27,28)29)10-23(16)36-14-22(33-34-36)18-9-21(13-30-12-18)35(2)20-6-8-38-15-20/h3-5,7,9-14,20H,6,8,15H2,1-2H3,(H,31,32,37).
What are the key properties of 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 523.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[5-[methyl(oxolan-3-yl)amino]-3-pyridinyl]triazol-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 53465031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).