7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C19H16ClF4N5O3 — CID 167268935

IUPAC7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cn2cc(F)c(Cl)cc2n1
InChIInChI=1S/C19H16ClF4N5O3/c1-9(25-17(30)14-8-29-7-13(21)12(20)6-15(29)26-14)2-3-16-27-28-18(31-16)10-4-11(5-10)32-19(22,23)24/h6-8,10-11H,1-5H2,(H,25,30)
InChIKeyWRRZNFFXGHYGPM-UHFFFAOYSA-N
MW473.81 g/mol
LogP4.17
Rot. Bonds7

About 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 167268935) has the molecular formula C19H16ClF4N5O3 and a molecular weight of 473.81 g/mol. Its IUPAC name is 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID167268935
Molecular FormulaC19H16ClF4N5O3
Molecular Weight473.81 g/mol
Exact Mass473.09
IUPAC Name7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cn2cc(F)c(Cl)cc2n1
InChIInChI=1S/C19H16ClF4N5O3/c1-9(25-17(30)14-8-29-7-13(21)12(20)6-15(29)26-14)2-3-16-27-28-18(31-16)10-4-11(5-10)32-19(22,23)24/h6-8,10-11H,1-5H2,(H,25,30)
InChIKeyWRRZNFFXGHYGPM-UHFFFAOYSA-N
XLogP4.17
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 167268935) is 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cn2cc(F)c(Cl)cc2n1.
What is the InChIKey of 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is WRRZNFFXGHYGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N5O3/c1-9(25-17(30)14-8-29-7-13(21)12(20)6-15(29)26-14)2-3-16-27-28-18(31-16)10-4-11(5-10)32-19(22,23)24/h6-8,10-11H,1-5H2,(H,25,30).
What are the key properties of 7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 473.81 g/mol, XLogP of 4.17, 7 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-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 167268935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).