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

C26H28N4O2 — CID 121070456

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
SMILESCOc1ccccc1-c1ccc(N2CCCC(C(=O)N3CCc4ccccc4C3)C2)nn1
InChIInChI=1S/C26H28N4O2/c1-32-24-11-5-4-10-22(24)23-12-13-25(28-27-23)29-15-6-9-21(18-29)26(31)30-16-14-19-7-2-3-8-20(19)17-30/h2-5,7-8,10-13,21H,6,9,14-18H2,1H3
InChIKeyMIHAZKBLRVDSTI-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.95
Rot. Bonds4

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

3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 121070456) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
PubChem CID121070456
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
SMILESCOc1ccccc1-c1ccc(N2CCCC(C(=O)N3CCc4ccccc4C3)C2)nn1
InChIInChI=1S/C26H28N4O2/c1-32-24-11-5-4-10-22(24)23-12-13-25(28-27-23)29-15-6-9-21(18-29)26(31)30-16-14-19-7-2-3-8-20(19)17-30/h2-5,7-8,10-13,21H,6,9,14-18H2,1H3
InChIKeyMIHAZKBLRVDSTI-UHFFFAOYSA-N
XLogP3.95
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone with MolForge

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Related Compounds

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070512
[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95552211
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121070472
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 90514878
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121070532
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide
CID 71805015
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070569
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 30362919
(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 30354623
3-(2-methoxyphenyl)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazine
CID 166260341
(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071624

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 121070456) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone is COc1ccccc1-c1ccc(N2CCCC(C(=O)N3CCc4ccccc4C3)C2)nn1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?
The InChIKey is MIHAZKBLRVDSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-32-24-11-5-4-10-22(24)23-12-13-25(28-27-23)29-15-6-9-21(18-29)26(31)30-16-14-19-7-2-3-8-20(19)17-30/h2-5,7-8,10-13,21H,6,9,14-18H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 428.54 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 121070456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).