6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C36H32ClN7OS2 — CID 158412632

IUPAC6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2sc(-c3cnc4ccc(Cl)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1
InChIInChI=1S/C21H22N4OS.C15H10ClN3S/c1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15;1-9-2-3-12-10(6-9)7-13(20-12)11-8-17-15-5-4-14(16)18-19(11)15/h2,7-12,15-16,26H,3-6H2,1H3,(H,23,24);2-8H,1H3
InChIKeyGZMPDZUVYKAUPW-UHFFFAOYSA-N
MW678.29 g/mol
LogP9.21
Rot. Bonds4

About 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 158412632) has the molecular formula C36H32ClN7OS2 and a molecular weight of 678.29 g/mol. Its IUPAC name is 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID158412632
Molecular FormulaC36H32ClN7OS2
Molecular Weight678.29 g/mol
Exact Mass677.18
IUPAC Name6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCc1ccc2sc(-c3cnc4ccc(Cl)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1
InChIInChI=1S/C21H22N4OS.C15H10ClN3S/c1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15;1-9-2-3-12-10(6-9)7-13(20-12)11-8-17-15-5-4-14(16)18-19(11)15/h2,7-12,15-16,26H,3-6H2,1H3,(H,23,24);2-8H,1H3
InChIKeyGZMPDZUVYKAUPW-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-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol with MolForge

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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
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
trans-4-(3-(Benzo[b]thiophen-2-yl)-7,8-dimethylimidazo[1,2-b]pyridazin-6-ylamino)cyclohexanol
CID 90387961
4-[[3-(5-Methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 90388095

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 158412632) is 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-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-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is Cc1ccc2sc(-c3cnc4ccc(Cl)nn34)cc2c1.Cc1ccc2sc(-c3cnc4ccc(NC5CCC(O)CC5)nn34)cc2c1.
What is the InChIKey of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is GZMPDZUVYKAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS.C15H10ClN3S/c1-13-2-7-18-14(10-13)11-19(27-18)17-12-22-21-9-8-20(24-25(17)21)23-15-3-5-16(26)6-4-15;1-9-2-3-12-10(6-9)7-13(20-12)11-8-17-15-5-4-14(16)18-19(11)15/h2,7-12,15-16,26H,3-6H2,1H3,(H,23,24);2-8H,1H3.
What are the key properties of 6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
6-chloro-3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-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-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazine;4-[[3-(5-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 158412632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).