2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C12H14F3N5O — CID 126824153

IUPAC2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CCCN2CCCc3[nH]ncc32)o1
InChIInChI=1S/C12H14F3N5O/c13-12(14,15)11-19-18-10(21-11)4-2-6-20-5-1-3-8-9(20)7-16-17-8/h7H,1-6H2,(H,16,17)
InChIKeyUDZCWLPEZFZCHG-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 126824153) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID126824153
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CCCN2CCCc3[nH]ncc32)o1
InChIInChI=1S/C12H14F3N5O/c13-12(14,15)11-19-18-10(21-11)4-2-6-20-5-1-3-8-9(20)7-16-17-8/h7H,1-6H2,(H,16,17)
InChIKeyUDZCWLPEZFZCHG-UHFFFAOYSA-N
XLogP2.20
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 164632703
[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 120965655
3,3-Difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
CID 126773974
(2,2-Difluorocyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126790747
4-(1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 128155445
2-Propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole
CID 128905208
1-[2-Oxo-2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethyl]pyrrolidin-2-one
CID 137865730

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 126824153) is 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CCCN2CCCc3[nH]ncc32)o1.
What is the InChIKey of 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is UDZCWLPEZFZCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c13-12(14,15)11-19-18-10(21-11)4-2-6-20-5-1-3-8-9(20)7-16-17-8/h7H,1-6H2,(H,16,17).
What are the key properties of 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 301.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126824153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).