N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine

C21H17N5S — CID 121419107

IUPACN-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccnc5s4)n3n2)cc1C
InChIInChI=1S/C21H17N5S/c1-13-5-6-16(10-14(13)2)24-19-7-8-20-23-12-17(26(20)25-19)18-11-15-4-3-9-22-21(15)27-18/h3-12H,1-2H3,(H,24,25)
InChIKeyXVYPDOOCLNQCPP-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.37
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine

N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 121419107) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID121419107
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC NameN-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(Nc2ccc3ncc(-c4cc5cccnc5s4)n3n2)cc1C
InChIInChI=1S/C21H17N5S/c1-13-5-6-16(10-14(13)2)24-19-7-8-20-23-12-17(26(20)25-19)18-11-15-4-3-9-22-21(15)27-18/h3-12H,1-2H3,(H,24,25)
InChIKeyXVYPDOOCLNQCPP-UHFFFAOYSA-N
XLogP5.37
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine (CID 121419107) is N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine is Cc1ccc(Nc2ccc3ncc(-c4cc5cccnc5s4)n3n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is XVYPDOOCLNQCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-13-5-6-16(10-14(13)2)24-19-7-8-20-23-12-17(26(20)25-19)18-11-15-4-3-9-22-21(15)27-18/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 371.47 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-thieno[2,3-b]pyridin-2-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 121419107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).