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

C19H23N5O — CID 109116317

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nn2)CC1
InChIInChI=1S/C19H23N5O/c1-22-10-12-23(13-11-22)19(25)17-6-7-18(21-20-17)24-9-8-15-4-2-3-5-16(15)14-24/h2-7H,8-14H2,1H3
InChIKeyDUCVSJVSPPMJMO-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.43
Rot. Bonds2

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

[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109116317) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109116317
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nn2)CC1
InChIInChI=1S/C19H23N5O/c1-22-10-12-23(13-11-22)19(25)17-6-7-18(21-20-17)24-9-8-15-4-2-3-5-16(15)14-24/h2-7H,8-14H2,1H3
InChIKeyDUCVSJVSPPMJMO-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.43
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-phenylpiperazin-1-yl)methanone
CID 109121734
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]-(4-methylpiperidin-1-yl)methanone
CID 109113344
[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]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109121757
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
ethyl 4-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109121830
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112689
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 109116317) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nn2)CC1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DUCVSJVSPPMJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-22-10-12-23(13-11-22)19(25)17-6-7-18(21-20-17)24-9-8-15-4-2-3-5-16(15)14-24/h2-7H,8-14H2,1H3.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 337.43 g/mol, XLogP of 1.43, 2 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109116317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).