(4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole

C21H27N3 — CID 11594924

IUPAC(4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole
SMILESCC1CCN(C/C=C2\CCCc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H27N3/c1-17-10-13-23(14-11-17)15-12-18-6-5-9-21-20(18)16-22-24(21)19-7-3-2-4-8-19/h2-4,7-8,12,16-17H,5-6,9-11,13-15H2,1H3/b18-12+
InChIKeyGEBIURUDWDHDQM-LDADJPATSA-N
MW321.47 g/mol
LogP4.32
Rot. Bonds3

About (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole

(4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole (PubChem CID 11594924) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole.

Molecular Properties

Compound Name(4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole
PubChem CID11594924
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name(4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole
SMILESCC1CCN(C/C=C2\CCCc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H27N3/c1-17-10-13-23(14-11-17)15-12-18-6-5-9-21-20(18)16-22-24(21)19-7-3-2-4-8-19/h2-4,7-8,12,16-17H,5-6,9-11,13-15H2,1H3/b18-12+
InChIKeyGEBIURUDWDHDQM-LDADJPATSA-N
XLogP4.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole?
The IUPAC name of (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole (CID 11594924) is (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole.
What is the SMILES notation for (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole?
The canonical SMILES for (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole is CC1CCN(C/C=C2\CCCc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole?
The InChIKey is GEBIURUDWDHDQM-LDADJPATSA-N. The full InChI is InChI=1S/C21H27N3/c1-17-10-13-23(14-11-17)15-12-18-6-5-9-21-20(18)16-22-24(21)19-7-3-2-4-8-19/h2-4,7-8,12,16-17H,5-6,9-11,13-15H2,1H3/b18-12+.
What are the key properties of (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole?
(4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole has a molecular weight of 321.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[2-(4-methylpiperidin-1-yl)ethylidene]-1-phenyl-6,7-dihydro-5H-indazole is sourced from PubChem (CID 11594924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).