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

C20H20FN7O3S — CID 167180552

IUPAC5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCS(=O)(=O)C1CCN(c2cc3nc(Nc4nnc(-c5ccc(F)cc5)o4)[nH]c3cn2)CC1
InChIInChI=1S/C20H20FN7O3S/c1-32(29,30)14-6-8-28(9-7-14)17-10-15-16(11-22-17)24-19(23-15)25-20-27-26-18(31-20)12-2-4-13(21)5-3-12/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,25,27)
InChIKeyPQSAZVPKCREWAS-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.90
Rot. Bonds5

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

5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 167180552) has the molecular formula C20H20FN7O3S and a molecular weight of 457.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID167180552
Molecular FormulaC20H20FN7O3S
Molecular Weight457.49 g/mol
Exact Mass457.13
IUPAC Name5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESCS(=O)(=O)C1CCN(c2cc3nc(Nc4nnc(-c5ccc(F)cc5)o4)[nH]c3cn2)CC1
InChIInChI=1S/C20H20FN7O3S/c1-32(29,30)14-6-8-28(9-7-14)17-10-15-16(11-22-17)24-19(23-15)25-20-27-26-18(31-20)12-2-4-13(21)5-3-12/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,25,27)
InChIKeyPQSAZVPKCREWAS-UHFFFAOYSA-N
XLogP2.90
TPSA129.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (CID 167180552) is 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is CS(=O)(=O)C1CCN(c2cc3nc(Nc4nnc(-c5ccc(F)cc5)o4)[nH]c3cn2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PQSAZVPKCREWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O3S/c1-32(29,30)14-6-8-28(9-7-14)17-10-15-16(11-22-17)24-19(23-15)25-20-27-26-18(31-20)12-2-4-13(21)5-3-12/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,25,27).
What are the key properties of 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 457.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[6-(4-methylsulfonylpiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167180552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).