ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline

C24H35N5 — CID 142497858

IUPACethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline
SMILESCC.CC.Cc1cc2c(C)c(C)c(-c3ccc(N4CCNCC4)nn3)cc2cn1
InChIInChI=1S/C20H23N5.2C2H6/c1-13-10-17-14(2)15(3)18(11-16(17)12-22-13)19-4-5-20(24-23-19)25-8-6-21-7-9-25;2*1-2/h4-5,10-12,21H,6-9H2,1-3H3;2*1-2H3
InChIKeyLGJFLRJBPQGAKU-UHFFFAOYSA-N
MW393.58 g/mol
LogP5.08
Rot. Bonds2

About ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline

ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline (PubChem CID 142497858) has the molecular formula C24H35N5 and a molecular weight of 393.58 g/mol. Its IUPAC name is ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline.

Molecular Properties

Compound Nameethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline
PubChem CID142497858
Molecular FormulaC24H35N5
Molecular Weight393.58 g/mol
Exact Mass393.29
IUPAC Nameethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline
SMILESCC.CC.Cc1cc2c(C)c(C)c(-c3ccc(N4CCNCC4)nn3)cc2cn1
InChIInChI=1S/C20H23N5.2C2H6/c1-13-10-17-14(2)15(3)18(11-16(17)12-22-13)19-4-5-20(24-23-19)25-8-6-21-7-9-25;2*1-2/h4-5,10-12,21H,6-9H2,1-3H3;2*1-2H3
InChIKeyLGJFLRJBPQGAKU-UHFFFAOYSA-N
XLogP5.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline 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

1-[6-(2,5-dimethylphenyl)pyridazin-3-yl]-1,4-diazepane
CID 56770685
3-methyl-5-(6-piperazin-1-ylpyridazin-3-yl)-1,2,4-thiadiazole
CID 19608320
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
3-(5-methyl-1H-pyrazol-4-yl)-6-pyrrolidin-1-ylpyridazine
CID 122572514
6,7-dimethyl-3-piperazin-1-ylisoquinoline;hydrochloride
CID 23321160
3,6-di(piperazin-1-yl)-1,2,4-triazine
CID 129162608
3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108773558
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
6-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-2-piperazin-1-yl-1,7-naphthyridine
CID 168976860
3-(4-nitrophenyl)-6-piperazin-1-ylpyridazine
CID 75359389
2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254

Frequently Asked Questions

What is the IUPAC name of ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline?
The IUPAC name of ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline (CID 142497858) is ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline.
What is the SMILES notation for ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline?
The canonical SMILES for ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline is CC.CC.Cc1cc2c(C)c(C)c(-c3ccc(N4CCNCC4)nn3)cc2cn1.
What is the InChIKey of ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline?
The InChIKey is LGJFLRJBPQGAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5.2C2H6/c1-13-10-17-14(2)15(3)18(11-16(17)12-22-13)19-4-5-20(24-23-19)25-8-6-21-7-9-25;2*1-2/h4-5,10-12,21H,6-9H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline?
ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline has a molecular weight of 393.58 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,6-trimethyl-7-(6-piperazin-1-ylpyridazin-3-yl)isoquinoline is sourced from PubChem (CID 142497858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).