3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C38H39ClN8OS2 — CID 144699023

IUPAC3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCCN(C)c1ccc2nc(C)c(-c3cc4ccccc4s3)n2n1.Cc1c(-c2cnc3ccc(NCCCCO)nn23)sc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN4OS.C19H20N4S/c1-12-14-10-13(20)4-5-16(14)26-19(12)15-11-22-18-7-6-17(23-24(15)18)21-8-2-3-9-25;1-4-11-22(3)18-10-9-17-20-13(2)19(23(17)21-18)16-12-14-7-5-6-8-15(14)24-16/h4-7,10-11,25H,2-3,8-9H2,1H3,(H,21,23);5-10,12H,4,11H2,1-3H3
InChIKeySISGRYMFOQIRTJ-UHFFFAOYSA-N
MW723.37 g/mol
LogP9.52
Rot. Bonds10

About 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 144699023) has the molecular formula C38H39ClN8OS2 and a molecular weight of 723.37 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID144699023
Molecular FormulaC38H39ClN8OS2
Molecular Weight723.37 g/mol
Exact Mass722.24
IUPAC Name3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCCN(C)c1ccc2nc(C)c(-c3cc4ccccc4s3)n2n1.Cc1c(-c2cnc3ccc(NCCCCO)nn23)sc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN4OS.C19H20N4S/c1-12-14-10-13(20)4-5-16(14)26-19(12)15-11-22-18-7-6-17(23-24(15)18)21-8-2-3-9-25;1-4-11-22(3)18-10-9-17-20-13(2)19(23(17)21-18)16-12-14-7-5-6-8-15(14)24-16/h4-7,10-11,25H,2-3,8-9H2,1H3,(H,21,23);5-10,12H,4,11H2,1-3H3
InChIKeySISGRYMFOQIRTJ-UHFFFAOYSA-N
XLogP9.52
TPSA95.88 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.37
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 144699023) is 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCCN(C)c1ccc2nc(C)c(-c3cc4ccccc4s3)n2n1.Cc1c(-c2cnc3ccc(NCCCCO)nn23)sc2ccc(Cl)cc12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is SISGRYMFOQIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS.C19H20N4S/c1-12-14-10-13(20)4-5-16(14)26-19(12)15-11-22-18-7-6-17(23-24(15)18)21-8-2-3-9-25;1-4-11-22(3)18-10-9-17-20-13(2)19(23(17)21-18)16-12-14-7-5-6-8-15(14)24-16/h4-7,10-11,25H,2-3,8-9H2,1H3,(H,21,23);5-10,12H,4,11H2,1-3H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 723.37 g/mol, XLogP of 9.52, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N,2-dimethyl-N-propylimidazo[1,2-b]pyridazin-6-amine;4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 144699023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).