3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole

C22H28FN5O2 — CID 71089466

IUPAC3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCCc1nn(-c2noc(C3CCN(CCC4CCCO4)CC3)n2)c2cc(F)ccc12
InChIInChI=1S/C22H28FN5O2/c1-2-19-18-6-5-16(23)14-20(18)28(25-19)22-24-21(30-26-22)15-7-10-27(11-8-15)12-9-17-4-3-13-29-17/h5-6,14-15,17H,2-4,7-13H2,1H3
InChIKeyGKWJZAWUHKCMAR-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.86
Rot. Bonds6

About 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole

3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 71089466) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID71089466
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole
SMILESCCc1nn(-c2noc(C3CCN(CCC4CCCO4)CC3)n2)c2cc(F)ccc12
InChIInChI=1S/C22H28FN5O2/c1-2-19-18-6-5-16(23)14-20(18)28(25-19)22-24-21(30-26-22)15-7-10-27(11-8-15)12-9-17-4-3-13-29-17/h5-6,14-15,17H,2-4,7-13H2,1H3
InChIKeyGKWJZAWUHKCMAR-UHFFFAOYSA-N
XLogP3.86
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole (CID 71089466) is 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole is CCc1nn(-c2noc(C3CCN(CCC4CCCO4)CC3)n2)c2cc(F)ccc12.
What is the InChIKey of 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is GKWJZAWUHKCMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-2-19-18-6-5-16(23)14-20(18)28(25-19)22-24-21(30-26-22)15-7-10-27(11-8-15)12-9-17-4-3-13-29-17/h5-6,14-15,17H,2-4,7-13H2,1H3.
What are the key properties of 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole?
3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 413.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-6-fluoroindazol-1-yl)-5-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 71089466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).