4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C14H9ClFN7O — CID 164861693

IUPAC4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ncc(F)cc2n1Cc1ccc(Cl)nc1
InChIInChI=1S/C14H9ClFN7O/c15-10-2-1-7(4-18-10)6-23-9-3-8(16)5-19-13(9)20-14(23)11-12(17)22-24-21-11/h1-5H,6H2,(H2,17,22)
InChIKeyKHFJZKWSRCOEME-UHFFFAOYSA-N
MW345.73 g/mol
LogP2.30
Rot. Bonds3

About 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 164861693) has the molecular formula C14H9ClFN7O and a molecular weight of 345.73 g/mol. Its IUPAC name is 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID164861693
Molecular FormulaC14H9ClFN7O
Molecular Weight345.73 g/mol
Exact Mass345.05
IUPAC Name4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ncc(F)cc2n1Cc1ccc(Cl)nc1
InChIInChI=1S/C14H9ClFN7O/c15-10-2-1-7(4-18-10)6-23-9-3-8(16)5-19-13(9)20-14(23)11-12(17)22-24-21-11/h1-5H,6H2,(H2,17,22)
InChIKeyKHFJZKWSRCOEME-UHFFFAOYSA-N
XLogP2.30
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 164861693) is 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ncc(F)cc2n1Cc1ccc(Cl)nc1.
What is the InChIKey of 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is KHFJZKWSRCOEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN7O/c15-10-2-1-7(4-18-10)6-23-9-3-8(16)5-19-13(9)20-14(23)11-12(17)22-24-21-11/h1-5H,6H2,(H2,17,22).
What are the key properties of 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 345.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-chloro-3-pyridinyl)methyl]-6-fluoroimidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 164861693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).