4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C25H25N5O2 — CID 154581617

IUPAC4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCn1cc(CC(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H25N5O2/c1-28-17-19(20-9-5-6-10-21(20)28)15-24(32)30-13-11-29(12-14-30)22-16-23(31)26-27-25(22)18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,26,31)
InChIKeyXHAFQDYCMKBWQY-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.82
Rot. Bonds4

About 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 154581617) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID154581617
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCn1cc(CC(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H25N5O2/c1-28-17-19(20-9-5-6-10-21(20)28)15-24(32)30-13-11-29(12-14-30)22-16-23(31)26-27-25(22)18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,26,31)
InChIKeyXHAFQDYCMKBWQY-UHFFFAOYSA-N
XLogP2.82
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 74240607
4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581330
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 90601675
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
CID 3770299
2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344850
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122338058

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 154581617) is 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is Cn1cc(CC(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is XHAFQDYCMKBWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-28-17-19(20-9-5-6-10-21(20)28)15-24(32)30-13-11-29(12-14-30)22-16-23(31)26-27-25(22)18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3,(H,26,31).
What are the key properties of 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 427.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 154581617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).