5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

C22H20F3N5O3S — CID 172606758

IUPAC5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2nnc(-c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)o2)CC1
InChIInChI=1S/C22H20F3N5O3S/c1-34(31,32)30-8-6-15(7-9-30)26-22-29-28-21(33-22)18-16-10-14(24)11-17(25)20(16)27-19(18)12-2-4-13(23)5-3-12/h2-5,10-11,15,27H,6-9H2,1H3,(H,26,29)
InChIKeyRSMUIHJTGNPWTJ-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.14
Rot. Bonds5

About 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine

5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 172606758) has the molecular formula C22H20F3N5O3S and a molecular weight of 491.50 g/mol. Its IUPAC name is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID172606758
Molecular FormulaC22H20F3N5O3S
Molecular Weight491.50 g/mol
Exact Mass491.12
IUPAC Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCS(=O)(=O)N1CCC(Nc2nnc(-c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)o2)CC1
InChIInChI=1S/C22H20F3N5O3S/c1-34(31,32)30-8-6-15(7-9-30)26-22-29-28-21(33-22)18-16-10-14(24)11-17(25)20(16)27-19(18)12-2-4-13(23)5-3-12/h2-5,10-11,15,27H,6-9H2,1H3,(H,26,29)
InChIKeyRSMUIHJTGNPWTJ-UHFFFAOYSA-N
XLogP4.14
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine (CID 172606758) is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is CS(=O)(=O)N1CCC(Nc2nnc(-c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)o2)CC1.
What is the InChIKey of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RSMUIHJTGNPWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3S/c1-34(31,32)30-8-6-15(7-9-30)26-22-29-28-21(33-22)18-16-10-14(24)11-17(25)20(16)27-19(18)12-2-4-13(23)5-3-12/h2-5,10-11,15,27H,6-9H2,1H3,(H,26,29).
What are the key properties of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine?
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 491.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 172606758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).