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

C21H26N4O — CID 109121834

IUPAC[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(NC2CCCCCC2)nn1)N1CCc2ccccc2C1
InChIInChI=1S/C21H26N4O/c26-21(25-14-13-16-7-5-6-8-17(16)15-25)19-11-12-20(24-23-19)22-18-9-3-1-2-4-10-18/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,22,24)
InChIKeySTSYVQHAKYSKRA-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.81
Rot. Bonds3

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

[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 109121834) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID109121834
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(NC2CCCCCC2)nn1)N1CCc2ccccc2C1
InChIInChI=1S/C21H26N4O/c26-21(25-14-13-16-7-5-6-8-17(16)15-25)19-11-12-20(24-23-19)22-18-9-3-1-2-4-10-18/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,22,24)
InChIKeySTSYVQHAKYSKRA-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109191980
3,4-dihydro-1H-isoquinolin-2-yl-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114824
[6-(tert-butylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121833
[6-(cyclohexylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109112814
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
[6-(cyclohexylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109112959
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
1-[3-[[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109121887
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063

Frequently Asked Questions

What is the IUPAC name of [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 109121834) is [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccc(NC2CCCCCC2)nn1)N1CCc2ccccc2C1.
What is the InChIKey of [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is STSYVQHAKYSKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(25-14-13-16-7-5-6-8-17(16)15-25)19-11-12-20(24-23-19)22-18-9-3-1-2-4-10-18/h5-8,11-12,18H,1-4,9-10,13-15H2,(H,22,24).
What are the key properties of [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 109121834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).