[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C24H25N5O — CID 109121734

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCc3ccccc3C2)nn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H25N5O/c30-24(28-16-14-27(15-17-28)21-8-2-1-3-9-21)22-10-11-23(26-25-22)29-13-12-19-6-4-5-7-20(19)18-29/h1-11H,12-18H2
InChIKeyQQXYGIJPTCRBIQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.00
Rot. Bonds3

About [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109121734) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109121734
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(N2CCc3ccccc3C2)nn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H25N5O/c30-24(28-16-14-27(15-17-28)21-8-2-1-3-9-21)22-10-11-23(26-25-22)29-13-12-19-6-4-5-7-20(19)18-29/h1-11H,12-18H2
InChIKeyQQXYGIJPTCRBIQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109121757
ethyl 4-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109121830
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109350750
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187230

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109121734) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(N2CCc3ccccc3C2)nn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is QQXYGIJPTCRBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(28-16-14-27(15-17-28)21-8-2-1-3-9-21)22-10-11-23(26-25-22)29-13-12-19-6-4-5-7-20(19)18-29/h1-11H,12-18H2.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109121734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).