7-methyl-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

C21H20F3N5O3 — CID 158706807

IUPAC7-methyl-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
SMILESCc1ccn2cc(C(=O)NC34CC(c5nnc(C6CC(OC(F)(F)F)C6)o5)(C3)C4)nc2c1
InChIInChI=1S/C21H20F3N5O3/c1-11-2-3-29-7-14(25-15(29)4-11)16(30)26-20-8-19(9-20,10-20)18-28-27-17(31-18)12-5-13(6-12)32-21(22,23)24/h2-4,7,12-13H,5-6,8-10H2,1H3,(H,26,30)
InChIKeyIIFFCDKFIFQLBE-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.41
Rot. Bonds5

About 7-methyl-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-methyl-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 158706807) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 7-methyl-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-methyl-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 CID158706807
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name7-methyl-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
SMILESCc1ccn2cc(C(=O)NC34CC(c5nnc(C6CC(OC(F)(F)F)C6)o5)(C3)C4)nc2c1
InChIInChI=1S/C21H20F3N5O3/c1-11-2-3-29-7-14(25-15(29)4-11)16(30)26-20-8-19(9-20,10-20)18-28-27-17(31-18)12-5-13(6-12)32-21(22,23)24/h2-4,7,12-13H,5-6,8-10H2,1H3,(H,26,30)
InChIKeyIIFFCDKFIFQLBE-UHFFFAOYSA-N
XLogP3.41
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-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-methyl-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 158706807) is 7-methyl-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-methyl-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-methyl-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 Cc1ccn2cc(C(=O)NC34CC(c5nnc(C6CC(OC(F)(F)F)C6)o5)(C3)C4)nc2c1.
What is the InChIKey of 7-methyl-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 IIFFCDKFIFQLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-11-2-3-29-7-14(25-15(29)4-11)16(30)26-20-8-19(9-20,10-20)18-28-27-17(31-18)12-5-13(6-12)32-21(22,23)24/h2-4,7,12-13H,5-6,8-10H2,1H3,(H,26,30).
What are the key properties of 7-methyl-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-methyl-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 447.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-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 158706807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).