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

C18H12F2N4O2 — CID 134799166

IUPACN-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C18H12F2N4O2/c19-14-3-1-11(7-15(14)20)8-21-18(25)12-2-4-16-22-23-17(24(16)9-12)13-5-6-26-10-13/h1-7,9-10H,8H2,(H,21,25)
InChIKeyTUNJTPHDUHTCSP-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.20
Rot. Bonds4

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

N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134799166) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134799166
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C18H12F2N4O2/c19-14-3-1-11(7-15(14)20)8-21-18(25)12-2-4-16-22-23-17(24(16)9-12)13-5-6-26-10-13/h1-7,9-10H,8H2,(H,21,25)
InChIKeyTUNJTPHDUHTCSP-UHFFFAOYSA-N
XLogP3.20
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134799166) is N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1ccc2nnc(-c3ccoc3)n2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is TUNJTPHDUHTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c19-14-3-1-11(7-15(14)20)8-21-18(25)12-2-4-16-22-23-17(24(16)9-12)13-5-6-26-10-13/h1-7,9-10H,8H2,(H,21,25).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 354.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134799166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).