N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H17F3N6O2 — CID 71281265

IUPACN-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2noc(CN3CCC(F)(F)C3)n2)ccc1F)c1cnc2ccccn12
InChIInChI=1S/C21H17F3N6O2/c22-14-5-4-13(19-27-18(32-28-19)11-29-8-6-21(23,24)12-29)9-15(14)26-20(31)16-10-25-17-3-1-2-7-30(16)17/h1-5,7,9-10H,6,8,11-12H2,(H,26,31)
InChIKeyPKNNTLTZPITKMH-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.62
Rot. Bonds5

About N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71281265) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71281265
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC NameN-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2noc(CN3CCC(F)(F)C3)n2)ccc1F)c1cnc2ccccn12
InChIInChI=1S/C21H17F3N6O2/c22-14-5-4-13(19-27-18(32-28-19)11-29-8-6-21(23,24)12-29)9-15(14)26-20(31)16-10-25-17-3-1-2-7-30(16)17/h1-5,7,9-10H,6,8,11-12H2,(H,26,31)
InChIKeyPKNNTLTZPITKMH-UHFFFAOYSA-N
XLogP3.62
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71281265) is N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(Nc1cc(-c2noc(CN3CCC(F)(F)C3)n2)ccc1F)c1cnc2ccccn12.
What is the InChIKey of N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PKNNTLTZPITKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c22-14-5-4-13(19-27-18(32-28-19)11-29-8-6-21(23,24)12-29)9-15(14)26-20(31)16-10-25-17-3-1-2-7-30(16)17/h1-5,7,9-10H,6,8,11-12H2,(H,26,31).
What are the key properties of N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71281265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).