N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C15H15F3N4O2 — CID 128707268

IUPACN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc2ccc(NC(=O)C3C4CCC(O4)C3C(F)(F)F)cn2n1
InChIInChI=1S/C15H15F3N4O2/c1-7-19-11-5-2-8(6-22(11)21-7)20-14(23)12-9-3-4-10(24-9)13(12)15(16,17)18/h2,5-6,9-10,12-13H,3-4H2,1H3,(H,20,23)
InChIKeyCMVCYCDAHQZZHP-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.33
Rot. Bonds2

About N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 128707268) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID128707268
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc2ccc(NC(=O)C3C4CCC(O4)C3C(F)(F)F)cn2n1
InChIInChI=1S/C15H15F3N4O2/c1-7-19-11-5-2-8(6-22(11)21-7)20-14(23)12-9-3-4-10(24-9)13(12)15(16,17)18/h2,5-6,9-10,12-13H,3-4H2,1H3,(H,20,23)
InChIKeyCMVCYCDAHQZZHP-UHFFFAOYSA-N
XLogP2.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
CID 125145251
N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 167950959
4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide
CID 154787253
2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
CID 167811800
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128651009
3,3-dimethyl-1-[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidin-1-yl]butan-1-one
CID 167832774
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 13140857
(1R,2R,3R,4S)-3-[(4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 18390515
(1R,2R,3R,4S)-3-[(3,4-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 18557979
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154770191
(1S,2R,3R,4R)-3-[(4-hydroxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 11896543
1-[(2R)-4-methyl-1-methylsulfonylpentan-2-yl]-3-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 167761793

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 128707268) is N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cc1nc2ccc(NC(=O)C3C4CCC(O4)C3C(F)(F)F)cn2n1.
What is the InChIKey of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CMVCYCDAHQZZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-7-19-11-5-2-8(6-22(11)21-7)20-14(23)12-9-3-4-10(24-9)13(12)15(16,17)18/h2,5-6,9-10,12-13H,3-4H2,1H3,(H,20,23).
What are the key properties of N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 128707268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).