N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine

C14H8ClFN6O — CID 164938869

IUPACN-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3nc4cc(Cl)ncc4[nH]3)o2)cc1
InChIInChI=1S/C14H8ClFN6O/c15-11-5-9-10(6-17-11)19-13(18-9)20-14-22-21-12(23-14)7-1-3-8(16)4-2-7/h1-6H,(H2,18,19,20,22)
InChIKeyATFIMOSLPIYRSC-UHFFFAOYSA-N
MW330.71 g/mol
LogP3.54
Rot. Bonds3

About N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine

N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 164938869) has the molecular formula C14H8ClFN6O and a molecular weight of 330.71 g/mol. Its IUPAC name is N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID164938869
Molecular FormulaC14H8ClFN6O
Molecular Weight330.71 g/mol
Exact Mass330.04
IUPAC NameN-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3nc4cc(Cl)ncc4[nH]3)o2)cc1
InChIInChI=1S/C14H8ClFN6O/c15-11-5-9-10(6-17-11)19-13(18-9)20-14-22-21-12(23-14)7-1-3-8(16)4-2-7/h1-6H,(H2,18,19,20,22)
InChIKeyATFIMOSLPIYRSC-UHFFFAOYSA-N
XLogP3.54
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.71
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 164938869) is N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is Fc1ccc(-c2nnc(Nc3nc4cc(Cl)ncc4[nH]3)o2)cc1.
What is the InChIKey of N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ATFIMOSLPIYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN6O/c15-11-5-9-10(6-17-11)19-13(18-9)20-14-22-21-12(23-14)7-1-3-8(16)4-2-7/h1-6H,(H2,18,19,20,22).
What are the key properties of N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine?
N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 330.71 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164938869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).