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

C21H15FN6O2 — CID 164938863

IUPAC5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nccc3[nH]c(Nc4nnc(-c5ccc(F)cc5)o4)nc23)c1
InChIInChI=1S/C21H15FN6O2/c1-29-15-4-2-3-13(11-15)17-18-16(9-10-23-17)24-20(25-18)26-21-28-27-19(30-21)12-5-7-14(22)8-6-12/h2-11H,1H3,(H2,24,25,26,28)
InChIKeyQQRQKTRSZLYUSA-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.57
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 164938863) has the molecular formula C21H15FN6O2 and a molecular weight of 402.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID164938863
Molecular FormulaC21H15FN6O2
Molecular Weight402.39 g/mol
Exact Mass402.12
IUPAC Name5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nccc3[nH]c(Nc4nnc(-c5ccc(F)cc5)o4)nc23)c1
InChIInChI=1S/C21H15FN6O2/c1-29-15-4-2-3-13(11-15)17-18-16(9-10-23-17)24-20(25-18)26-21-28-27-19(30-21)12-5-7-14(22)8-6-12/h2-11H,1H3,(H2,24,25,26,28)
InChIKeyQQRQKTRSZLYUSA-UHFFFAOYSA-N
XLogP4.57
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (CID 164938863) is 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-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-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is COc1cccc(-c2nccc3[nH]c(Nc4nnc(-c5ccc(F)cc5)o4)nc23)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QQRQKTRSZLYUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O2/c1-29-15-4-2-3-13(11-15)17-18-16(9-10-23-17)24-20(25-18)26-21-28-27-19(30-21)12-5-7-14(22)8-6-12/h2-11H,1H3,(H2,24,25,26,28).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 402.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164938863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).