3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H13F3N4O2 — CID 134798902

IUPAC3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)15-3-1-2-12(8-15)9-23-18(27)13-4-5-16-24-25-17(26(16)10-13)14-6-7-28-11-14/h1-8,10-11H,9H2,(H,23,27)
InChIKeyFKFAWKAQDAKQHZ-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.94
Rot. Bonds4

About 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134798902) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134798902
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)15-3-1-2-12(8-15)9-23-18(27)13-4-5-16-24-25-17(26(16)10-13)14-6-7-28-11-14/h1-8,10-11H,9H2,(H,23,27)
InChIKeyFKFAWKAQDAKQHZ-UHFFFAOYSA-N
XLogP3.94
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798846
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798531
N-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799823
3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798880
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122244813
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
3-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134798902) is 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2nnc(-c3ccoc3)n2c1.
What is the InChIKey of 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is FKFAWKAQDAKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c20-19(21,22)15-3-1-2-12(8-15)9-23-18(27)13-4-5-16-24-25-17(26(16)10-13)14-6-7-28-11-14/h1-8,10-11H,9H2,(H,23,27).
What are the key properties of 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134798902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).