N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

C25H24N4O3S — CID 78426690

IUPACN-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(C)C)c5s4)n3n2)cc1OC
InChIInChI=1S/C25H24N4O3S/c1-15(2)32-20-7-5-6-16-12-22(33-25(16)20)18-14-26-24-11-10-23(28-29(18)24)27-17-8-9-19(30-3)21(13-17)31-4/h5-15H,1-4H3,(H,27,28)
InChIKeyFKXCCHMZTGEGOP-UHFFFAOYSA-N
MW460.56 g/mol
LogP6.16
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 78426690) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID78426690
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(C)C)c5s4)n3n2)cc1OC
InChIInChI=1S/C25H24N4O3S/c1-15(2)32-20-7-5-6-16-12-22(33-25(16)20)18-14-26-24-11-10-23(28-29(18)24)27-17-8-9-19(30-3)21(13-17)31-4/h5-15H,1-4H3,(H,27,28)
InChIKeyFKXCCHMZTGEGOP-UHFFFAOYSA-N
XLogP6.16
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 78426690) is N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(Nc2ccc3ncc(-c4cc5cccc(OC(C)C)c5s4)n3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FKXCCHMZTGEGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-15(2)32-20-7-5-6-16-12-22(33-25(16)20)18-14-26-24-11-10-23(28-29(18)24)27-17-8-9-19(30-3)21(13-17)31-4/h5-15H,1-4H3,(H,27,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 460.56 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(7-propan-2-yloxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 78426690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).