8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide

C21H20N6O — CID 140943142

IUPAC8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2cc(Nc3ccccc3)c3ncc(C(N)=O)n3n2)c1
InChIInChI=1S/C21H20N6O/c1-13-8-14(2)10-16(9-13)25-19-11-17(24-15-6-4-3-5-7-15)21-23-12-18(20(22)28)27(21)26-19/h3-12,24H,1-2H3,(H2,22,28)(H,25,26)
InChIKeyIFEXEXRVVLLXPF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.93
Rot. Bonds5

About 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide

8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 140943142) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID140943142
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2cc(Nc3ccccc3)c3ncc(C(N)=O)n3n2)c1
InChIInChI=1S/C21H20N6O/c1-13-8-14(2)10-16(9-13)25-19-11-17(24-15-6-4-3-5-7-15)21-23-12-18(20(22)28)27(21)26-19/h3-12,24H,1-2H3,(H2,22,28)(H,25,26)
InChIKeyIFEXEXRVVLLXPF-UHFFFAOYSA-N
XLogP3.93
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 140943142) is 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(C)cc(Nc2cc(Nc3ccccc3)c3ncc(C(N)=O)n3n2)c1.
What is the InChIKey of 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is IFEXEXRVVLLXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-8-14(2)10-16(9-13)25-19-11-17(24-15-6-4-3-5-7-15)21-23-12-18(20(22)28)27(21)26-19/h3-12,24H,1-2H3,(H2,22,28)(H,25,26).
What are the key properties of 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide?
8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-6-(3,5-dimethylanilino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 140943142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).