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

C26H23FN6O — CID 56968334

IUPAC2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
SMILESFc1ccccc1CN1CCCC(c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)C1
InChIInChI=1S/C26H23FN6O/c27-22-6-2-1-4-19(22)15-33-13-3-5-20(16-33)26-32-31-25(34-26)18-7-8-23-21(14-18)24(30-29-23)17-9-11-28-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,29,30)
InChIKeyWIXHSFBWKMBRRG-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.19
Rot. Bonds5

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

2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole (PubChem CID 56968334) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
PubChem CID56968334
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
SMILESFc1ccccc1CN1CCCC(c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)C1
InChIInChI=1S/C26H23FN6O/c27-22-6-2-1-4-19(22)15-33-13-3-5-20(16-33)26-32-31-25(34-26)18-7-8-23-21(14-18)24(30-29-23)17-9-11-28-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,29,30)
InChIKeyWIXHSFBWKMBRRG-UHFFFAOYSA-N
XLogP5.19
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole (CID 56968334) is 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole is Fc1ccccc1CN1CCCC(c2nnc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)o2)C1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is WIXHSFBWKMBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c27-22-6-2-1-4-19(22)15-33-13-3-5-20(16-33)26-32-31-25(34-26)18-7-8-23-21(14-18)24(30-29-23)17-9-11-28-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,29,30).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole?
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 454.51 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 56968334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).