(4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C24H24FN5O2 — CID 134477798

IUPAC(4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)c5ccc(F)cc5)CC4)n3)cc21
InChIInChI=1S/C24H24FN5O2/c1-15(2)30-21-13-18(3-4-19(21)14-26-30)22-27-23(32-28-22)16-9-11-29(12-10-16)24(31)17-5-7-20(25)8-6-17/h3-8,13-16H,9-12H2,1-2H3
InChIKeyWPRBTZQWKNVYHN-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.83
Rot. Bonds4

About (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 134477798) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID134477798
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name(4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)c5ccc(F)cc5)CC4)n3)cc21
InChIInChI=1S/C24H24FN5O2/c1-15(2)30-21-13-18(3-4-19(21)14-26-30)22-27-23(32-28-22)16-9-11-29(12-10-16)24(31)17-5-7-20(25)8-6-17/h3-8,13-16H,9-12H2,1-2H3
InChIKeyWPRBTZQWKNVYHN-UHFFFAOYSA-N
XLogP4.83
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 134477798) is (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)c5ccc(F)cc5)CC4)n3)cc21.
What is the InChIKey of (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is WPRBTZQWKNVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-15(2)30-21-13-18(3-4-19(21)14-26-30)22-27-23(32-28-22)16-9-11-29(12-10-16)24(31)17-5-7-20(25)8-6-17/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 433.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134477798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).