(4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone

C32H37N7O — CID 90514295

IUPAC(4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)nn2)n1
InChIInChI=1S/C32H37N7O/c1-24-23-25(2)39(35-24)30-14-13-29(33-34-30)36-17-15-28(16-18-36)32(40)38-21-19-37(20-22-38)31(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-14,23,28,31H,15-22H2,1-2H3
InChIKeyAALQDYGXUSJBOB-UHFFFAOYSA-N
MW535.70 g/mol
LogP4.43
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone (PubChem CID 90514295) has the molecular formula C32H37N7O and a molecular weight of 535.70 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
PubChem CID90514295
Molecular FormulaC32H37N7O
Molecular Weight535.70 g/mol
Exact Mass535.31
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCc1cc(C)n(-c2ccc(N3CCC(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)nn2)n1
InChIInChI=1S/C32H37N7O/c1-24-23-25(2)39(35-24)30-14-13-29(33-34-30)36-17-15-28(16-18-36)32(40)38-21-19-37(20-22-38)31(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-14,23,28,31H,15-22H2,1-2H3
InChIKeyAALQDYGXUSJBOB-UHFFFAOYSA-N
XLogP4.43
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.70
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone 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

(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071624
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 90514309
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 90514300
(4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90514534
(4-benzhydrylpiperazin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520340
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
(4-benzhydrylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611224
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone (CID 90514295) is (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone is Cc1cc(C)n(-c2ccc(N3CCC(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)nn2)n1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
The InChIKey is AALQDYGXUSJBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O/c1-24-23-25(2)39(35-24)30-14-13-29(33-34-30)36-17-15-28(16-18-36)32(40)38-21-19-37(20-22-38)31(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-14,23,28,31H,15-22H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 535.70 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 90514295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).