7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide

C18H17F3N4O3 — CID 119104814

IUPAC7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nnc4n3CC(C(F)(F)F)CC4)oc12
InChIInChI=1S/C18H17F3N4O3/c1-27-12-4-2-3-10-7-13(28-16(10)12)17(26)22-8-15-24-23-14-6-5-11(9-25(14)15)18(19,20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,22,26)
InChIKeyANOXXQQYMMNHBJ-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.09
Rot. Bonds4

About 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 119104814) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID119104814
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nnc4n3CC(C(F)(F)F)CC4)oc12
InChIInChI=1S/C18H17F3N4O3/c1-27-12-4-2-3-10-7-13(28-16(10)12)17(26)22-8-15-24-23-14-6-5-11(9-25(14)15)18(19,20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,22,26)
InChIKeyANOXXQQYMMNHBJ-UHFFFAOYSA-N
XLogP3.09
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide 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

4-(4-fluorophenyl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 119104825
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
7-methoxy-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 90569424
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189
7-methoxy-N-[2-(oxan-4-ylsulfanyl)ethyl]-1-benzofuran-2-carboxamide
CID 86265197
7-methoxy-N-[(1-thiophen-2-yltriazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 122245678
7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53281678
2-(6-oxopyridazin-1-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 121022006
7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
CID 56764219
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202
7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122317401
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95982356

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide (CID 119104814) is 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3nnc4n3CC(C(F)(F)F)CC4)oc12.
What is the InChIKey of 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is ANOXXQQYMMNHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-27-12-4-2-3-10-7-13(28-16(10)12)17(26)22-8-15-24-23-14-6-5-11(9-25(14)15)18(19,20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,22,26).
What are the key properties of 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119104814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).