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

C38H30ClN7S2 — CID 158115060

IUPAC6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc2sc(-c3cnc4ccc(Cl)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1
InChIInChI=1S/C23H20N4S.C15H10ClN3S/c1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;1-9-2-3-12-10(6-9)7-13(20-12)11-8-17-15-5-4-14(16)18-19(11)15/h4-13H,1-3H3,(H,25,26);2-8H,1H3
InChIKeyFQWZOWXAHJZCTP-UHFFFAOYSA-N
MW684.29 g/mol
LogP10.85
Rot. Bonds4

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

6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 158115060) has the molecular formula C38H30ClN7S2 and a molecular weight of 684.29 g/mol. Its IUPAC name is 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID158115060
Molecular FormulaC38H30ClN7S2
Molecular Weight684.29 g/mol
Exact Mass683.17
IUPAC Name6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc2sc(-c3cnc4ccc(Cl)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1
InChIInChI=1S/C23H20N4S.C15H10ClN3S/c1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;1-9-2-3-12-10(6-9)7-13(20-12)11-8-17-15-5-4-14(16)18-19(11)15/h4-13H,1-3H3,(H,25,26);2-8H,1H3
InChIKeyFQWZOWXAHJZCTP-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
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
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
3-(3-Chloro-5-pyridin-4-ylthiophen-2-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 57933046
2-(5-Chlorothiophen-2-yl)-6-(3,5-dimethylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 75184950
2-(5-Chlorothiophen-2-yl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 75216344

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 158115060) is 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc2sc(-c3cnc4ccc(Cl)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(Nc5ccc(C)c(C)c5)nn34)cc2c1.
What is the InChIKey of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FQWZOWXAHJZCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4S.C15H10ClN3S/c1-14-4-7-20-17(10-14)12-21(28-20)19-13-24-23-9-8-22(26-27(19)23)25-18-6-5-15(2)16(3)11-18;1-9-2-3-12-10(6-9)7-13(20-12)11-8-17-15-5-4-14(16)18-19(11)15/h4-13H,1-3H3,(H,25,26);2-8H,1H3.
What are the key properties of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-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-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;N-(3,4-dimethylphenyl)-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 158115060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).