7-chloro-6-fluoro-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

C20H16ClF4N5O3 — CID 137491693

IUPAC7-chloro-6-fluoro-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)c1cn2cc(F)c(Cl)cc2n1
InChIInChI=1S/C20H16ClF4N5O3/c21-11-3-14-26-13(5-30(14)4-12(11)22)15(31)27-19-6-18(7-19,8-19)17-29-28-16(32-17)9-1-10(2-9)33-20(23,24)25/h3-5,9-10H,1-2,6-8H2,(H,27,31)
InChIKeyOFAMBRDAEJQNGE-UHFFFAOYSA-N
MW485.83 g/mol
LogP3.90
Rot. Bonds5

About 7-chloro-6-fluoro-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-chloro-6-fluoro-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 137491693) has the molecular formula C20H16ClF4N5O3 and a molecular weight of 485.83 g/mol. Its IUPAC name is 7-chloro-6-fluoro-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-chloro-6-fluoro-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 CID137491693
Molecular FormulaC20H16ClF4N5O3
Molecular Weight485.83 g/mol
Exact Mass485.09
IUPAC Name7-chloro-6-fluoro-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)c1cn2cc(F)c(Cl)cc2n1
InChIInChI=1S/C20H16ClF4N5O3/c21-11-3-14-26-13(5-30(14)4-12(11)22)15(31)27-19-6-18(7-19,8-19)17-29-28-16(32-17)9-1-10(2-9)33-20(23,24)25/h3-5,9-10H,1-2,6-8H2,(H,27,31)
InChIKeyOFAMBRDAEJQNGE-UHFFFAOYSA-N
XLogP3.90
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-chloro-6-fluoro-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-chloro-6-fluoro-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-chloro-6-fluoro-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 137491693) is 7-chloro-6-fluoro-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-chloro-6-fluoro-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-chloro-6-fluoro-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)c1cn2cc(F)c(Cl)cc2n1.
What is the InChIKey of 7-chloro-6-fluoro-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 OFAMBRDAEJQNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF4N5O3/c21-11-3-14-26-13(5-30(14)4-12(11)22)15(31)27-19-6-18(7-19,8-19)17-29-28-16(32-17)9-1-10(2-9)33-20(23,24)25/h3-5,9-10H,1-2,6-8H2,(H,27,31).
What are the key properties of 7-chloro-6-fluoro-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-chloro-6-fluoro-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 485.83 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-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 137491693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).