6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

C42H38ClN7O2S2 — CID 159217811

IUPAC6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc2sc(-c3cnc4ccc(Cl)nn34)cc2c(C)c1C.COc1cc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c(C)c1C
InChIInChI=1S/C25H24N4OS.C17H14ClN3OS/c1-14-6-7-18(10-15(14)2)27-24-8-9-25-26-13-20(29(25)28-24)23-11-19-16(3)17(4)21(30-5)12-22(19)31-23;1-9-10(2)13(22-3)7-14-11(9)6-15(23-14)12-8-19-17-5-4-16(18)20-21(12)17/h6-13H,1-5H3,(H,27,28);4-8H,1-3H3
InChIKeyKRHLGWMLHMHRRF-UHFFFAOYSA-N
MW772.40 g/mol
LogP11.49
Rot. Bonds6

About 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 159217811) has the molecular formula C42H38ClN7O2S2 and a molecular weight of 772.40 g/mol. Its IUPAC name is 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID159217811
Molecular FormulaC42H38ClN7O2S2
Molecular Weight772.40 g/mol
Exact Mass771.22
IUPAC Name6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc2sc(-c3cnc4ccc(Cl)nn34)cc2c(C)c1C.COc1cc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c(C)c1C
InChIInChI=1S/C25H24N4OS.C17H14ClN3OS/c1-14-6-7-18(10-15(14)2)27-24-8-9-25-26-13-20(29(25)28-24)23-11-19-16(3)17(4)21(30-5)12-22(19)31-23;1-9-10(2)13(22-3)7-14-11(9)6-15(23-14)12-8-19-17-5-4-16(18)20-21(12)17/h6-13H,1-5H3,(H,27,28);4-8H,1-3H3
InChIKeyKRHLGWMLHMHRRF-UHFFFAOYSA-N
XLogP11.49
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500772.40
LogP ≤ 511.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 121419111
N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 121419107
N-(3,4-dimethoxyphenyl)-3-(5,6,7-trimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90388069
3-[6-(3,4-dimethylanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 90393302
5-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylbenzoic acid
CID 90393494
3-(1-benzothiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine;3,4,5-trimethoxyaniline
CID 90388654
N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 90393518
3-aminobenzoic acid;3-[[3-(5,6-dimethoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]benzoic acid
CID 122447013
N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 78426690
3-[6-(3,4-dimethoxyanilino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 78427884
6-chloro-3-(5-methylthiophen-2-yl)imidazo[1,2-b]pyridazine
CID 144699039
N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-fluoronaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-(6-methylnaphthalen-2-yl)imidazo[1,2-b]pyridazin-6-amine;N-(3,4-dimethylphenyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine;methane;3-[(3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzoic acid
CID 157341300

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 159217811) is 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is COc1cc2sc(-c3cnc4ccc(Cl)nn34)cc2c(C)c1C.COc1cc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c(C)c1C.
What is the InChIKey of 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KRHLGWMLHMHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS.C17H14ClN3OS/c1-14-6-7-18(10-15(14)2)27-24-8-9-25-26-13-20(29(25)28-24)23-11-19-16(3)17(4)21(30-5)12-22(19)31-23;1-9-10(2)13(22-3)7-14-11(9)6-15(23-14)12-8-19-17-5-4-16(18)20-21(12)17/h6-13H,1-5H3,(H,27,28);4-8H,1-3H3.
What are the key properties of 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 772.40 g/mol, XLogP of 11.49, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(6-methoxy-4,5-dimethyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 159217811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).