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

C24H25N5O — CID 30364719

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccncc3)nn2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C24H25N5O/c30-24(29-16-9-18-3-1-2-4-21(18)17-29)20-10-14-28(15-11-20)23-6-5-22(26-27-23)19-7-12-25-13-8-19/h1-8,12-13,20H,9-11,14-17H2
InChIKeyKOKRMONBEXACSF-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.34
Rot. Bonds3

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

3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone (PubChem CID 30364719) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
PubChem CID30364719
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3ccncc3)nn2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C24H25N5O/c30-24(29-16-9-18-3-1-2-4-21(18)17-29)20-10-14-28(15-11-20)23-6-5-22(26-27-23)19-7-12-25-13-8-19/h1-8,12-13,20H,9-11,14-17H2
InChIKeyKOKRMONBEXACSF-UHFFFAOYSA-N
XLogP3.34
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 56763260
[1-(5-bromo-2-pyridinyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 171991173
(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058275
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 171994811
N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071643
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082
N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364662

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone (CID 30364719) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-c3ccncc3)nn2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The InChIKey is KOKRMONBEXACSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24(29-16-9-18-3-1-2-4-21(18)17-29)20-10-14-28(15-11-20)23-6-5-22(26-27-23)19-7-12-25-13-8-19/h1-8,12-13,20H,9-11,14-17H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.34, 3 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-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 30364719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).