[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C17H22N6O2 — CID 122342772

IUPAC[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cn1
InChIInChI=1S/C17H22N6O2/c1-21(2)14-10-15(20-19-12-14)22-6-8-23(9-7-22)17(24)13-4-5-16(25-3)18-11-13/h4-5,10-12H,6-9H2,1-3H3
InChIKeyJUPIFFUSKMRRIO-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.91
Rot. Bonds4

About [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 122342772) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID122342772
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cn1
InChIInChI=1S/C17H22N6O2/c1-21(2)14-10-15(20-19-12-14)22-6-8-23(9-7-22)17(24)13-4-5-16(25-3)18-11-13/h4-5,10-12H,6-9H2,1-3H3
InChIKeyJUPIFFUSKMRRIO-UHFFFAOYSA-N
XLogP0.91
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
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
(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344220
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 134063116
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122342714
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699
(6-methoxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346962
(6-methoxy-3-pyridinyl)-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337826

Frequently Asked Questions

What is the IUPAC name of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 122342772) is [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cn1.
What is the InChIKey of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is JUPIFFUSKMRRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-21(2)14-10-15(20-19-12-14)22-6-8-23(9-7-22)17(24)13-4-5-16(25-3)18-11-13/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 342.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 122342772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).