3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one

C27H28N4O — CID 21494257

IUPAC3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc2c(c1)c(-c1ccccc1)nn2CC(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C27H28N4O/c1-20-12-13-25-23(18-20)26(22-10-6-3-7-11-22)29-31(25)19-24(21-8-4-2-5-9-21)27(32)30-16-14-28-15-17-30/h2-13,18,24,28H,14-17,19H2,1H3
InChIKeyXFFPHLVKUPVDAT-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.23
Rot. Bonds5

About 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one

3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one (PubChem CID 21494257) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one
PubChem CID21494257
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc2c(c1)c(-c1ccccc1)nn2CC(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C27H28N4O/c1-20-12-13-25-23(18-20)26(22-10-6-3-7-11-22)29-31(25)19-24(21-8-4-2-5-9-21)27(32)30-16-14-28-15-17-30/h2-13,18,24,28H,14-17,19H2,1H3
InChIKeyXFFPHLVKUPVDAT-UHFFFAOYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one (CID 21494257) is 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one is Cc1ccc2c(c1)c(-c1ccccc1)nn2CC(C(=O)N1CCNCC1)c1ccccc1.
What is the InChIKey of 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is XFFPHLVKUPVDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-20-12-13-25-23(18-20)26(22-10-6-3-7-11-22)29-31(25)19-24(21-8-4-2-5-9-21)27(32)30-16-14-28-15-17-30/h2-13,18,24,28H,14-17,19H2,1H3.
What are the key properties of 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one?
3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 424.55 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-phenylindazol-1-yl)-2-phenyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 21494257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).