5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C11H12F3N5O — CID 128905197

IUPAC5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(CN2CCCc3[nH]ncc32)n1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)4-9-16-10(20-18-9)6-19-3-1-2-7-8(19)5-15-17-7/h5H,1-4,6H2,(H,15,17)
InChIKeyDXCCSWLXMOLCFB-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.85
Rot. Bonds3

About 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 128905197) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID128905197
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(CN2CCCc3[nH]ncc32)n1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)4-9-16-10(20-18-9)6-19-3-1-2-7-8(19)5-15-17-7/h5H,1-4,6H2,(H,15,17)
InChIKeyDXCCSWLXMOLCFB-UHFFFAOYSA-N
XLogP1.85
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methoxymethyl)-5-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-ylmethyl)-1,2,4-oxadiazole
CID 154763832
5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127712347
6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 154762799
[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392905
2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 137175374
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483124
5-[(5-cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127388306
4-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]sulfonylmorpholine
CID 166211184
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482940
[3-[[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120753031
N,N,3,3-tetramethyl-4-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 136521143

Frequently Asked Questions

What is the IUPAC name of 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 128905197) is 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(CN2CCCc3[nH]ncc32)n1.
What is the InChIKey of 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is DXCCSWLXMOLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c12-11(13,14)4-9-16-10(20-18-9)6-19-3-1-2-7-8(19)5-15-17-7/h5H,1-4,6H2,(H,15,17).
What are the key properties of 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 287.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 128905197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).