2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine

C34H24ClN9S2 — CID 159854654

IUPAC2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1C.Clc1ccc2ncc(-c3cc4cnccc4s3)n2n1
InChIInChI=1S/C21H17N5S.C13H7ClN4S/c1-13-3-4-16(9-14(13)2)24-20-5-6-21-23-12-17(26(21)25-20)19-10-15-11-22-8-7-18(15)27-19;14-12-1-2-13-16-7-9(18(13)17-12)11-5-8-6-15-4-3-10(8)19-11/h3-12H,1-2H3,(H,24,25);1-7H
InChIKeyNQJIJAZNAHPMGR-UHFFFAOYSA-N
MW658.22 g/mol
LogP9.03
Rot. Bonds4

About 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 159854654) has the molecular formula C34H24ClN9S2 and a molecular weight of 658.22 g/mol. Its IUPAC name is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID159854654
Molecular FormulaC34H24ClN9S2
Molecular Weight658.22 g/mol
Exact Mass657.13
IUPAC Name2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1C.Clc1ccc2ncc(-c3cc4cnccc4s3)n2n1
InChIInChI=1S/C21H17N5S.C13H7ClN4S/c1-13-3-4-16(9-14(13)2)24-20-5-6-21-23-12-17(26(21)25-20)19-10-15-11-22-8-7-18(15)27-19;14-12-1-2-13-16-7-9(18(13)17-12)11-5-8-6-15-4-3-10(8)19-11/h3-12H,1-2H3,(H,24,25);1-7H
InChIKeyNQJIJAZNAHPMGR-UHFFFAOYSA-N
XLogP9.03
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500658.22
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine with MolForge

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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
2-(5-Chlorothiophen-2-yl)imidazo[2,1-a]phthalazin-6-amine
CID 3859169
N-(3,4-dimethylphenyl)-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 121419101
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
N-(3-chlorophenyl)-3-(thieno[3,2-c]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
CID 54761025
3-(3-Chloro-5-pyridin-3-yl-thiophen-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine
CID 57932909
(2-{4-Chloro-5-[8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazin-3-yl]-thiophen-2-yl}-pyrrol-1-yl)-dimethyl-amine
CID 57932942
3-(3-Chloro-5-pyrazin-2-ylthiophen-2-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 57932977
3-(3-Chloro-5-pyridin-4-ylthiophen-2-yl)-2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazine
CID 57933046

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 159854654) is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine is Cc1ccc(Nc2ccc3ncc(-c4cc5cnccc5s4)n3n2)cc1C.Clc1ccc2ncc(-c3cc4cnccc4s3)n2n1.
What is the InChIKey of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is NQJIJAZNAHPMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S.C13H7ClN4S/c1-13-3-4-16(9-14(13)2)24-20-5-6-21-23-12-17(26(21)25-20)19-10-15-11-22-8-7-18(15)27-19;14-12-1-2-13-16-7-9(18(13)17-12)11-5-8-6-15-4-3-10(8)19-11/h3-12H,1-2H3,(H,24,25);1-7H.
What are the key properties of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 658.22 g/mol, XLogP of 9.03, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-c]pyridine;N-(3,4-dimethylphenyl)-3-thieno[3,2-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 159854654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).