3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine

C20H12Cl2N4S — CID 78426411

IUPAC3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1Cl
InChIInChI=1S/C20H12Cl2N4S/c21-14-6-5-13(10-15(14)22)24-19-7-8-20-23-11-16(26(20)25-19)18-9-12-3-1-2-4-17(12)27-18/h1-11H,(H,24,25)
InChIKeyMFMQLBBFVXYAKD-UHFFFAOYSA-N
MW411.32 g/mol
LogP6.66
Rot. Bonds3

About 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 78426411) has the molecular formula C20H12Cl2N4S and a molecular weight of 411.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID78426411
Molecular FormulaC20H12Cl2N4S
Molecular Weight411.32 g/mol
Exact Mass410.02
IUPAC Name3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1Cl
InChIInChI=1S/C20H12Cl2N4S/c21-14-6-5-13(10-15(14)22)24-19-7-8-20-23-11-16(26(20)25-19)18-9-12-3-1-2-4-17(12)27-18/h1-11H,(H,24,25)
InChIKeyMFMQLBBFVXYAKD-UHFFFAOYSA-N
XLogP6.66
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.32
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine (CID 78426411) is 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine is Clc1ccc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)cc1Cl.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MFMQLBBFVXYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4S/c21-14-6-5-13(10-15(14)22)24-19-7-8-20-23-11-16(26(20)25-19)18-9-12-3-1-2-4-17(12)27-18/h1-11H,(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 411.32 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 78426411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).