N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C21H17F6N5O3 — CID 137491724

IUPACN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C21H17F6N5O3/c22-20(23,24)11-1-2-14-28-13(6-32(14)5-11)15(33)29-19-7-18(8-19,9-19)17-31-30-16(34-17)10-3-12(4-10)35-21(25,26)27/h1-2,5-6,10,12H,3-4,7-9H2,(H,29,33)
InChIKeyFYPYIVJITVTVQI-UHFFFAOYSA-N
MW501.39 g/mol
LogP4.12
Rot. Bonds5

About N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 137491724) has the molecular formula C21H17F6N5O3 and a molecular weight of 501.39 g/mol. Its IUPAC name is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID137491724
Molecular FormulaC21H17F6N5O3
Molecular Weight501.39 g/mol
Exact Mass501.12
IUPAC NameN-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cn2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C21H17F6N5O3/c22-20(23,24)11-1-2-14-28-13(6-32(14)5-11)15(33)29-19-7-18(8-19,9-19)17-31-30-16(34-17)10-3-12(4-10)35-21(25,26)27/h1-2,5-6,10,12H,3-4,7-9H2,(H,29,33)
InChIKeyFYPYIVJITVTVQI-UHFFFAOYSA-N
XLogP4.12
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 137491724) is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cn2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is FYPYIVJITVTVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N5O3/c22-20(23,24)11-1-2-14-28-13(6-32(14)5-11)15(33)29-19-7-18(8-19,9-19)17-31-30-16(34-17)10-3-12(4-10)35-21(25,26)27/h1-2,5-6,10,12H,3-4,7-9H2,(H,29,33).
What are the key properties of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 501.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 137491724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).