N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide

C15H8ClF5N4O — CID 16575401

IUPACN-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc(F)cc(F)c1
InChIInChI=1S/C15H8ClF5N4O/c16-11-3-8(15(19,20)21)6-25-12(23-24-13(11)25)5-22-14(26)7-1-9(17)4-10(18)2-7/h1-4,6H,5H2,(H,22,26)
InChIKeyDECLNZJVCBNLBK-UHFFFAOYSA-N
MW390.70 g/mol
LogP3.61
Rot. Bonds3

About N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide

N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide (PubChem CID 16575401) has the molecular formula C15H8ClF5N4O and a molecular weight of 390.70 g/mol. Its IUPAC name is N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide
PubChem CID16575401
Molecular FormulaC15H8ClF5N4O
Molecular Weight390.70 g/mol
Exact Mass390.03
IUPAC NameN-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide
SMILESO=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc(F)cc(F)c1
InChIInChI=1S/C15H8ClF5N4O/c16-11-3-8(15(19,20)21)6-25-12(23-24-13(11)25)5-22-14(26)7-1-9(17)4-10(18)2-7/h1-4,6H,5H2,(H,22,26)
InChIKeyDECLNZJVCBNLBK-UHFFFAOYSA-N
XLogP3.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide?
The IUPAC name of N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide (CID 16575401) is N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide is O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc(F)cc(F)c1.
What is the InChIKey of N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide?
The InChIKey is DECLNZJVCBNLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5N4O/c16-11-3-8(15(19,20)21)6-25-12(23-24-13(11)25)5-22-14(26)7-1-9(17)4-10(18)2-7/h1-4,6H,5H2,(H,22,26).
What are the key properties of N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide?
N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide has a molecular weight of 390.70 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,5-difluorobenzamide is sourced from PubChem (CID 16575401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).