6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

C38H30ClN7S2 — CID 157407162

IUPAC6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12
InChIInChI=1S/C23H20N4S.C15H10ClN3S/c1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14/h4-13H,1-3H3,(H,25,26);2-8H,1H3
InChIKeyBNVVHEIUJUOPDA-UHFFFAOYSA-N
MW684.29 g/mol
LogP10.85
Rot. Bonds4

About 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 157407162) has the molecular formula C38H30ClN7S2 and a molecular weight of 684.29 g/mol. Its IUPAC name is 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID157407162
Molecular FormulaC38H30ClN7S2
Molecular Weight684.29 g/mol
Exact Mass683.17
IUPAC Name6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12
InChIInChI=1S/C23H20N4S.C15H10ClN3S/c1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14/h4-13H,1-3H3,(H,25,26);2-8H,1H3
InChIKeyBNVVHEIUJUOPDA-UHFFFAOYSA-N
XLogP10.85
TPSA72.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.29
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525810
3-(1-benzothiophen-2-yl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857883
N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 121419101
1-Benzothiophen-2-yl-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine
CID 10165020
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
CID 10300927
2-Butyl-3-[4-[5-chloro-2-(1-trityl-1H-tetrazol-5-yl)-3-thienyl]benzyl]-3H-imidazo[4,5-b]pyridine
CID 19759434
6-[[6-(5-Chlorothiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
CID 44207449
2-(2,5-Dichlorothiophen-3-yl)-6-(3,3-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 46244936
2-(5-chlorothiophen-2-yl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 46245026
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 46836261
6-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 46836262
3-(3-Chloro-5-pyridin-3-yl-thiophen-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine
CID 57932909

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 157407162) is 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc(Nc2ccc3ncc(-c4cc5cccc(C)c5s4)n3n2)cc1C.Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.
What is the InChIKey of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BNVVHEIUJUOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4S.C15H10ClN3S/c1-14-7-8-18(11-16(14)3)25-21-9-10-22-24-13-19(27(22)26-21)20-12-17-6-4-5-15(2)23(17)28-20;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14/h4-13H,1-3H3,(H,25,26);2-8H,1H3.
What are the key properties of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 684.29 g/mol, XLogP of 10.85, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 157407162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).