6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

C24H29N5O2 — CID 126913907

IUPAC6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CCN2CCN(C(=O)c3nccc4ccccc34)CC2)n1
InChIInChI=1S/C24H29N5O2/c1-24(2,3)20-8-9-21(30)29(26-20)17-14-27-12-15-28(16-13-27)23(31)22-19-7-5-4-6-18(19)10-11-25-22/h4-11H,12-17H2,1-3H3
InChIKeyAQGDTEKAOZTVSK-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.55
Rot. Bonds4

About 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913907) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913907
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CCN2CCN(C(=O)c3nccc4ccccc34)CC2)n1
InChIInChI=1S/C24H29N5O2/c1-24(2,3)20-8-9-21(30)29(26-20)17-14-27-12-15-28(16-13-27)23(31)22-19-7-5-4-6-18(19)10-11-25-22/h4-11H,12-17H2,1-3H3
InChIKeyAQGDTEKAOZTVSK-UHFFFAOYSA-N
XLogP2.55
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915791
6-tert-butyl-2-[2-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913973
6-tert-butyl-2-[2-[4-(4-methoxy-1-methyl-6-oxopyridine-3-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913977
6-tert-butyl-2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913975
6-tert-butyl-2-[2-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914182
2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]acetonitrile
CID 63336720
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122336718
6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914136
6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914050
1-(azepan-1-yl)-2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethanone
CID 60602385
1-[2-[4-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperazin-1-yl]ethyl]azepan-2-one
CID 126914211
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913907) is 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CCN2CCN(C(=O)c3nccc4ccccc34)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is AQGDTEKAOZTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-24(2,3)20-8-9-21(30)29(26-20)17-14-27-12-15-28(16-13-27)23(31)22-19-7-5-4-6-18(19)10-11-25-22/h4-11H,12-17H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 419.53 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).