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

C25H22N4O2S — CID 78425975

IUPAC3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)ccc1OCC1CC1
InChIInChI=1S/C25H22N4O2S/c1-30-21-13-18(8-9-20(21)31-15-16-6-7-16)27-24-10-11-25-26-14-19(29(25)28-24)23-12-17-4-2-3-5-22(17)32-23/h2-5,8-14,16H,6-7,15H2,1H3,(H,27,28)
InChIKeyVSBUZHZGGHIFHO-UHFFFAOYSA-N
MW442.54 g/mol
LogP6.15
Rot. Bonds7

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

3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 78425975) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID78425975
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)ccc1OCC1CC1
InChIInChI=1S/C25H22N4O2S/c1-30-21-13-18(8-9-20(21)31-15-16-6-7-16)27-24-10-11-25-26-14-19(29(25)28-24)23-12-17-4-2-3-5-22(17)32-23/h2-5,8-14,16H,6-7,15H2,1H3,(H,27,28)
InChIKeyVSBUZHZGGHIFHO-UHFFFAOYSA-N
XLogP6.15
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine (CID 78425975) is 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine is COc1cc(Nc2ccc3ncc(-c4cc5ccccc5s4)n3n2)ccc1OCC1CC1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VSBUZHZGGHIFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-30-21-13-18(8-9-20(21)31-15-16-6-7-16)27-24-10-11-25-26-14-19(29(25)28-24)23-12-17-4-2-3-5-22(17)32-23/h2-5,8-14,16H,6-7,15H2,1H3,(H,27,28).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 442.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-[4-(cyclopropylmethoxy)-3-methoxyphenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 78425975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).