6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C36H32ClN7OS2 — CID 157195521

IUPAC6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
InChIInChI=1S/C21H22N4OS.C15H10ClN3S/c1-13-3-2-4-14-11-18(27-21(13)14)17-12-22-20-10-9-19(24-25(17)20)23-15-5-7-16(26)8-6-15;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14/h2-4,9-12,15-16,26H,5-8H2,1H3,(H,23,24);2-8H,1H3
InChIKeyAQEXWZXKXXMGIK-UHFFFAOYSA-N
MW678.29 g/mol
LogP9.21
Rot. Bonds4

About 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 157195521) has the molecular formula C36H32ClN7OS2 and a molecular weight of 678.29 g/mol. Its IUPAC name is 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID157195521
Molecular FormulaC36H32ClN7OS2
Molecular Weight678.29 g/mol
Exact Mass677.18
IUPAC Name6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12
InChIInChI=1S/C21H22N4OS.C15H10ClN3S/c1-13-3-2-4-14-11-18(27-21(13)14)17-12-22-20-10-9-19(24-25(17)20)23-15-5-7-16(26)8-6-15;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14/h2-4,9-12,15-16,26H,5-8H2,1H3,(H,23,24);2-8H,1H3
InChIKeyAQEXWZXKXXMGIK-UHFFFAOYSA-N
XLogP9.21
TPSA92.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.29
LogP ≤ 59.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

trans-4-(3-(5-Fluorobenzo[b]thiophen-2-yl)imidazo[1,2-b]pyridazin-6-ylamino)cyclohexanol
CID 90388453
4-[[3-(1-Benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 58857577
4-[[3-[2-(5-Methylthiophen-2-yl)-4-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 24937342
4-[[3-(1-Benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol
CID 78427111
4-(3-(3-Methylbenzo[b]thiophen-2-yl)imidazo[1,2-b]pyridazin-6-ylamino)butan-1-ol
CID 90387477
trans-4-(3-(7-Methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-ylamino)cyclohexanol
CID 90387565
trans-4-(3-(Thieno[2,3-b]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-ylamino)cyclohexanol
CID 90387672
4-(3-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)imidazo[1,2-b]pyridazin-6-ylamino)butan-1-ol
CID 90387743
trans-4-(3-(Thieno[2,3-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-ylamino)cyclohexanol
CID 90387780
cis-(1S,3R)-3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 90387818
cis-(1R,3S)-3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 90387819
3-[[3-(1-Benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 90387820

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 157195521) is 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1cccc2cc(-c3cnc4ccc(Cl)nn34)sc12.Cc1cccc2cc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)sc12.
What is the InChIKey of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is AQEXWZXKXXMGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS.C15H10ClN3S/c1-13-3-2-4-14-11-18(27-21(13)14)17-12-22-20-10-9-19(24-25(17)20)23-15-5-7-16(26)8-6-15;1-9-3-2-4-10-7-12(20-15(9)10)11-8-17-14-6-5-13(16)18-19(11)14/h2-4,9-12,15-16,26H,5-8H2,1H3,(H,23,24);2-8H,1H3.
What are the key properties of 6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
6-chloro-3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 678.29 g/mol, XLogP of 9.21, 4 rotatable bonds, 2 hydrogen bond donors, and 10 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;4-[[3-(7-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157195521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).