6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole

C24H28FN3 — CID 144923957

IUPAC6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole
SMILESCCC/C=C(/c1ccc2cnn(C3CCNCC3)c2c1)c1ccc(F)cc1C
InChIInChI=1S/C24H28FN3/c1-3-4-5-23(22-9-8-20(25)14-17(22)2)18-6-7-19-16-27-28(24(19)15-18)21-10-12-26-13-11-21/h5-9,14-16,21,26H,3-4,10-13H2,1-2H3/b23-5-
InChIKeyBXKBGWSRQWSALF-FPQMYIDKSA-N
MW377.51 g/mol
LogP5.64
Rot. Bonds5

About 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole

6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole (PubChem CID 144923957) has the molecular formula C24H28FN3 and a molecular weight of 377.51 g/mol. Its IUPAC name is 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole.

Molecular Properties

Compound Name6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole
PubChem CID144923957
Molecular FormulaC24H28FN3
Molecular Weight377.51 g/mol
Exact Mass377.23
IUPAC Name6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole
SMILESCCC/C=C(/c1ccc2cnn(C3CCNCC3)c2c1)c1ccc(F)cc1C
InChIInChI=1S/C24H28FN3/c1-3-4-5-23(22-9-8-20(25)14-17(22)2)18-6-7-19-16-27-28(24(19)15-18)21-10-12-26-13-11-21/h5-9,14-16,21,26H,3-4,10-13H2,1-2H3/b23-5-
InChIKeyBXKBGWSRQWSALF-FPQMYIDKSA-N
XLogP5.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole?
The IUPAC name of 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole (CID 144923957) is 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole.
What is the SMILES notation for 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole?
The canonical SMILES for 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole is CCC/C=C(/c1ccc2cnn(C3CCNCC3)c2c1)c1ccc(F)cc1C.
What is the InChIKey of 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole?
The InChIKey is BXKBGWSRQWSALF-FPQMYIDKSA-N. The full InChI is InChI=1S/C24H28FN3/c1-3-4-5-23(22-9-8-20(25)14-17(22)2)18-6-7-19-16-27-28(24(19)15-18)21-10-12-26-13-11-21/h5-9,14-16,21,26H,3-4,10-13H2,1-2H3/b23-5-.
What are the key properties of 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole?
6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole has a molecular weight of 377.51 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-1-piperidin-4-ylindazole is sourced from PubChem (CID 144923957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).