N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C16H13F2N3O2 — CID 67120079

IUPACN-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCOc1cc(F)cc(F)c1)c1cnc2ccccn12
InChIInChI=1S/C16H13F2N3O2/c17-11-7-12(18)9-13(8-11)23-6-4-19-16(22)14-10-20-15-3-1-2-5-21(14)15/h1-3,5,7-10H,4,6H2,(H,19,22)
InChIKeyPWPHZNMNVLNJEF-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67120079) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67120079
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCOc1cc(F)cc(F)c1)c1cnc2ccccn12
InChIInChI=1S/C16H13F2N3O2/c17-11-7-12(18)9-13(8-11)23-6-4-19-16(22)14-10-20-15-3-1-2-5-21(14)15/h1-3,5,7-10H,4,6H2,(H,19,22)
InChIKeyPWPHZNMNVLNJEF-UHFFFAOYSA-N
XLogP2.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67120079) is N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCCOc1cc(F)cc(F)c1)c1cnc2ccccn12.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PWPHZNMNVLNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c17-11-7-12(18)9-13(8-11)23-6-4-19-16(22)14-10-20-15-3-1-2-5-21(14)15/h1-3,5,7-10H,4,6H2,(H,19,22).
What are the key properties of N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67120079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).