6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine

C19H17N5O — CID 134807539

IUPAC6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc3ncc(Nc4ccccc4C)n3n2)cn1
InChIInChI=1S/C19H17N5O/c1-13-5-3-4-6-15(13)22-18-12-20-17-9-8-16(23-24(17)18)14-7-10-19(25-2)21-11-14/h3-12,22H,1-2H3
InChIKeyPBWBUEMMQVUJLH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.85
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine

6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134807539) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134807539
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc3ncc(Nc4ccccc4C)n3n2)cn1
InChIInChI=1S/C19H17N5O/c1-13-5-3-4-6-15(13)22-18-12-20-17-9-8-16(23-24(17)18)14-7-10-19(25-2)21-11-14/h3-12,22H,1-2H3
InChIKeyPBWBUEMMQVUJLH-UHFFFAOYSA-N
XLogP3.85
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine (CID 134807539) is 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine is COc1ccc(-c2ccc3ncc(Nc4ccccc4C)n3n2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is PBWBUEMMQVUJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-5-3-4-6-15(13)22-18-12-20-17-9-8-16(23-24(17)18)14-7-10-19(25-2)21-11-14/h3-12,22H,1-2H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine?
6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 331.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134807539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).