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

C21H15FN6O — CID 167566063

IUPAC5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(-c2nccc3[nH]c(Nc4nnc(-c5ccc(F)cc5)o4)nc23)c1
InChIInChI=1S/C21H15FN6O/c1-12-3-2-4-14(11-12)17-18-16(9-10-23-17)24-20(25-18)26-21-28-27-19(29-21)13-5-7-15(22)8-6-13/h2-11H,1H3,(H2,24,25,26,28)
InChIKeyFHLGDMCYZHFMQA-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.87
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 167566063) has the molecular formula C21H15FN6O and a molecular weight of 386.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID167566063
Molecular FormulaC21H15FN6O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(-c2nccc3[nH]c(Nc4nnc(-c5ccc(F)cc5)o4)nc23)c1
InChIInChI=1S/C21H15FN6O/c1-12-3-2-4-14(11-12)17-18-16(9-10-23-17)24-20(25-18)26-21-28-27-19(29-21)13-5-7-15(22)8-6-13/h2-11H,1H3,(H2,24,25,26,28)
InChIKeyFHLGDMCYZHFMQA-UHFFFAOYSA-N
XLogP4.87
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (CID 167566063) is 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is Cc1cccc(-c2nccc3[nH]c(Nc4nnc(-c5ccc(F)cc5)o4)nc23)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FHLGDMCYZHFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O/c1-12-3-2-4-14(11-12)17-18-16(9-10-23-17)24-20(25-18)26-21-28-27-19(29-21)13-5-7-15(22)8-6-13/h2-11H,1H3,(H2,24,25,26,28).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 386.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167566063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).