3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid

C18H19F4N5O3 — CID 71089470

IUPAC3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESCCc1nn(-c2noc(C3CCNCC3)n2)c2c(F)cccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18FN5O.C2HF3O2/c1-2-13-11-4-3-5-12(17)14(11)22(20-13)16-19-15(23-21-16)10-6-8-18-9-7-10;3-2(4,5)1(6)7/h3-5,10,18H,2,6-9H2,1H3;(H,6,7)
InChIKeyIZVFJMSLZAXUAG-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.21
Rot. Bonds3

About 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid

3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid (PubChem CID 71089470) has the molecular formula C18H19F4N5O3 and a molecular weight of 429.37 g/mol. Its IUPAC name is 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
PubChem CID71089470
Molecular FormulaC18H19F4N5O3
Molecular Weight429.37 g/mol
Exact Mass429.14
IUPAC Name3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESCCc1nn(-c2noc(C3CCNCC3)n2)c2c(F)cccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18FN5O.C2HF3O2/c1-2-13-11-4-3-5-12(17)14(11)22(20-13)16-19-15(23-21-16)10-6-8-18-9-7-10;3-2(4,5)1(6)7/h3-5,10,18H,2,6-9H2,1H3;(H,6,7)
InChIKeyIZVFJMSLZAXUAG-UHFFFAOYSA-N
XLogP3.21
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 46221711
CID 46221711
CID 46223010
CID 46223010
CID 67413585
CID 67413585
CID 71089466
CID 71089466
CID 71089468
CID 71089468
CID 71089471
CID 71089471
CID 71089473
CID 71089473
CID 71089497
CID 71089497
CID 71089507
CID 71089507
CID 71089514
CID 71089514
CID 71089515
CID 71089515
CID 71089874
CID 71089874

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid (CID 71089470) is 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid is CCc1nn(-c2noc(C3CCNCC3)n2)c2c(F)cccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is IZVFJMSLZAXUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O.C2HF3O2/c1-2-13-11-4-3-5-12(17)14(11)22(20-13)16-19-15(23-21-16)10-6-8-18-9-7-10;3-2(4,5)1(6)7/h3-5,10,18H,2,6-9H2,1H3;(H,6,7).
What are the key properties of 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 429.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-7-fluoroindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71089470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).