4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide

C17H15F3N6O2 — CID 44820244

IUPAC4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H15F3N6O2/c1-9-15(25-28-24-9)16(27)23-12-3-2-4-13-11(12)8-22-26(13)14-6-5-10(7-21-14)17(18,19)20/h5-8,12H,2-4H2,1H3,(H,23,27)
InChIKeyMPLVLOOLHBDAKJ-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.78
Rot. Bonds3

About 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 44820244) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID44820244
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H15F3N6O2/c1-9-15(25-28-24-9)16(27)23-12-3-2-4-13-11(12)8-22-26(13)14-6-5-10(7-21-14)17(18,19)20/h5-8,12H,2-4H2,1H3,(H,23,27)
InChIKeyMPLVLOOLHBDAKJ-UHFFFAOYSA-N
XLogP2.78
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide 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-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide (CID 44820244) is 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MPLVLOOLHBDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-9-15(25-28-24-9)16(27)23-12-3-2-4-13-11(12)8-22-26(13)14-6-5-10(7-21-14)17(18,19)20/h5-8,12H,2-4H2,1H3,(H,23,27).
What are the key properties of 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 44820244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).