[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone

C20H22N6O — CID 122342714

IUPAC[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)c3nccc4ccccc34)CC2)c1
InChIInChI=1S/C20H22N6O/c1-24(2)16-13-18(23-22-14-16)25-9-11-26(12-10-25)20(27)19-17-6-4-3-5-15(17)7-8-21-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFIWXQSSXJHAESV-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.05
Rot. Bonds3

About [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone

[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone (PubChem CID 122342714) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
PubChem CID122342714
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)c3nccc4ccccc34)CC2)c1
InChIInChI=1S/C20H22N6O/c1-24(2)16-13-18(23-22-14-16)25-9-11-26(12-10-25)20(27)19-17-6-4-3-5-15(17)7-8-21-19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFIWXQSSXJHAESV-UHFFFAOYSA-N
XLogP2.05
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone 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-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 122342638
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122336718
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 122342772
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
isoquinolin-1-yl-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333323
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methoxyethanone
CID 121137222
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 122342877
1-[4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 6733703
4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91968748
N-[2-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122342702
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194

Frequently Asked Questions

What is the IUPAC name of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone?
The IUPAC name of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone (CID 122342714) is [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone.
What is the SMILES notation for [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone?
The canonical SMILES for [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone is CN(C)c1cnnc(N2CCN(C(=O)c3nccc4ccccc34)CC2)c1.
What is the InChIKey of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone?
The InChIKey is FIWXQSSXJHAESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24(2)16-13-18(23-22-14-16)25-9-11-26(12-10-25)20(27)19-17-6-4-3-5-15(17)7-8-21-19/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone?
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone has a molecular weight of 362.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone is sourced from PubChem (CID 122342714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).