N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide

C17H16F3N5O2 — CID 83278424

IUPACN-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccc(C(F)(F)F)cn23)CC1)c1ccoc1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)12-1-2-14-22-23-16(25(14)9-12)24-6-3-13(4-7-24)21-15(26)11-5-8-27-10-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,21,26)
InChIKeyQLZQZBGUAKSDSY-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.74
Rot. Bonds3

About N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide

N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 83278424) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide
PubChem CID83278424
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide
SMILESO=C(NC1CCN(c2nnc3ccc(C(F)(F)F)cn23)CC1)c1ccoc1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)12-1-2-14-22-23-16(25(14)9-12)24-6-3-13(4-7-24)21-15(26)11-5-8-27-10-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,21,26)
InChIKeyQLZQZBGUAKSDSY-UHFFFAOYSA-N
XLogP2.74
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-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 N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide (CID 83278424) is N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide is O=C(NC1CCN(c2nnc3ccc(C(F)(F)F)cn23)CC1)c1ccoc1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is QLZQZBGUAKSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)12-1-2-14-22-23-16(25(14)9-12)24-6-3-13(4-7-24)21-15(26)11-5-8-27-10-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,21,26).
What are the key properties of N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide?
N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 83278424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).