2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole

C26H26FN7O — CID 56969216

IUPAC2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
SMILESCCn1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6ccccc6F)C5)o4)cc23)cn1
InChIInChI=1S/C26H26FN7O/c1-2-34-16-20(13-28-34)24-21-12-17(9-10-23(21)29-30-24)25-31-32-26(35-25)19-7-5-11-33(15-19)14-18-6-3-4-8-22(18)27/h3-4,6,8-10,12-13,16,19H,2,5,7,11,14-15H2,1H3,(H,29,30)/t19-/m1/s1
InChIKeyVSLLCASWPUUHQY-LJQANCHMSA-N
MW471.54 g/mol
LogP5.01
Rot. Bonds6

About 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole

2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 56969216) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID56969216
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
SMILESCCn1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6ccccc6F)C5)o4)cc23)cn1
InChIInChI=1S/C26H26FN7O/c1-2-34-16-20(13-28-34)24-21-12-17(9-10-23(21)29-30-24)25-31-32-26(35-25)19-7-5-11-33(15-19)14-18-6-3-4-8-22(18)27/h3-4,6,8-10,12-13,16,19H,2,5,7,11,14-15H2,1H3,(H,29,30)/t19-/m1/s1
InChIKeyVSLLCASWPUUHQY-LJQANCHMSA-N
XLogP5.01
TPSA88.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole (CID 56969216) is 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole is CCn1cc(-c2n[nH]c3ccc(-c4nnc([C@@H]5CCCN(Cc6ccccc6F)C5)o4)cc23)cn1.
What is the InChIKey of 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is VSLLCASWPUUHQY-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26FN7O/c1-2-34-16-20(13-28-34)24-21-12-17(9-10-23(21)29-30-24)25-31-32-26(35-25)19-7-5-11-33(15-19)14-18-6-3-4-8-22(18)27/h3-4,6,8-10,12-13,16,19H,2,5,7,11,14-15H2,1H3,(H,29,30)/t19-/m1/s1.
What are the key properties of 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole?
2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 471.54 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpyrazol-4-yl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 56969216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).