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

C20H17BrF3N5O3 — CID 137491711

IUPAC7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cn2ccc(Br)cc2n1
InChIInChI=1S/C20H17BrF3N5O3/c21-11-1-2-29-6-13(25-14(29)5-11)15(30)26-19-7-18(8-19,9-19)17-28-27-16(31-17)10-3-12(4-10)32-20(22,23)24/h1-2,5-6,10,12H,3-4,7-9H2,(H,26,30)
InChIKeyHIFTZQDNPDGNRR-UHFFFAOYSA-N
MW512.29 g/mol
LogP3.87
Rot. Bonds5

About 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide

7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 137491711) has the molecular formula C20H17BrF3N5O3 and a molecular weight of 512.29 g/mol. Its IUPAC name is 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID137491711
Molecular FormulaC20H17BrF3N5O3
Molecular Weight512.29 g/mol
Exact Mass511.05
IUPAC Name7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cn2ccc(Br)cc2n1
InChIInChI=1S/C20H17BrF3N5O3/c21-11-1-2-29-6-13(25-14(29)5-11)15(30)26-19-7-18(8-19,9-19)17-28-27-16(31-17)10-3-12(4-10)32-20(22,23)24/h1-2,5-6,10,12H,3-4,7-9H2,(H,26,30)
InChIKeyHIFTZQDNPDGNRR-UHFFFAOYSA-N
XLogP3.87
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 137491711) is 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cn2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HIFTZQDNPDGNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF3N5O3/c21-11-1-2-29-6-13(25-14(29)5-11)15(30)26-19-7-18(8-19,9-19)17-28-27-16(31-17)10-3-12(4-10)32-20(22,23)24/h1-2,5-6,10,12H,3-4,7-9H2,(H,26,30).
What are the key properties of 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide?
7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 512.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 137491711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).