(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone

C19H14N4O — CID 511050

IUPAC(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)nn2c1-c1ccccc1
InChIInChI=1S/C19H14N4O/c20-19-17(13-7-3-1-4-8-13)23-16(21-19)12-11-15(22-23)18(24)14-9-5-2-6-10-14/h1-12H,20H2
InChIKeyQGLXOOKHEFCBSV-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.21
Rot. Bonds3

About (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone

(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone (PubChem CID 511050) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
PubChem CID511050
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)nn2c1-c1ccccc1
InChIInChI=1S/C19H14N4O/c20-19-17(13-7-3-1-4-8-13)23-16(21-19)12-11-15(22-23)18(24)14-9-5-2-6-10-14/h1-12H,20H2
InChIKeyQGLXOOKHEFCBSV-UHFFFAOYSA-N
XLogP3.21
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
The IUPAC name of (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone (CID 511050) is (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
The canonical SMILES for (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone is Nc1nc2ccc(C(=O)c3ccccc3)nn2c1-c1ccccc1.
What is the InChIKey of (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
The InChIKey is QGLXOOKHEFCBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-19-17(13-7-3-1-4-8-13)23-16(21-19)12-11-15(22-23)18(24)14-9-5-2-6-10-14/h1-12H,20H2.
What are the key properties of (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone?
(2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone has a molecular weight of 314.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenylimidazo[1,2-b]pyridazin-6-yl)-phenylmethanone is sourced from PubChem (CID 511050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).