4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole

C23H26FN3O — CID 146166425

IUPAC4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole
SMILESFc1cccc2c1c(N1CCC(c3ccccc3)CC1)nn2C1CCCCO1
InChIInChI=1S/C23H26FN3O/c24-19-9-6-10-20-22(19)23(25-27(20)21-11-4-5-16-28-21)26-14-12-18(13-15-26)17-7-2-1-3-8-17/h1-3,6-10,18,21H,4-5,11-16H2
InChIKeyLXMPXAAUEJKNOD-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.26
Rot. Bonds3

About 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole

4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole (PubChem CID 146166425) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole.

Molecular Properties

Compound Name4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole
PubChem CID146166425
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole
SMILESFc1cccc2c1c(N1CCC(c3ccccc3)CC1)nn2C1CCCCO1
InChIInChI=1S/C23H26FN3O/c24-19-9-6-10-20-22(19)23(25-27(20)21-11-4-5-16-28-21)26-14-12-18(13-15-26)17-7-2-1-3-8-17/h1-3,6-10,18,21H,4-5,11-16H2
InChIKeyLXMPXAAUEJKNOD-UHFFFAOYSA-N
XLogP5.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole?
The IUPAC name of 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole (CID 146166425) is 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole.
What is the SMILES notation for 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole?
The canonical SMILES for 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole is Fc1cccc2c1c(N1CCC(c3ccccc3)CC1)nn2C1CCCCO1.
What is the InChIKey of 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole?
The InChIKey is LXMPXAAUEJKNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-19-9-6-10-20-22(19)23(25-27(20)21-11-4-5-16-28-21)26-14-12-18(13-15-26)17-7-2-1-3-8-17/h1-3,6-10,18,21H,4-5,11-16H2.
What are the key properties of 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole?
4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole has a molecular weight of 379.48 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(oxan-2-yl)-3-(4-phenylpiperidin-1-yl)indazole is sourced from PubChem (CID 146166425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).