5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine

C16H11N7O — CID 136627149

IUPAC5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5cn[nH]c5)n4n3)ccc2o1
InChIInChI=1S/C16H11N7O/c17-16-21-12-5-9(1-3-14(12)24-16)11-2-4-15-18-8-13(23(15)22-11)10-6-19-20-7-10/h1-8H,(H2,17,21)(H,19,20)
InChIKeyLAEZKVJWSNMJNT-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.51
Rot. Bonds2

About 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine

5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 136627149) has the molecular formula C16H11N7O and a molecular weight of 317.31 g/mol. Its IUPAC name is 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID136627149
Molecular FormulaC16H11N7O
Molecular Weight317.31 g/mol
Exact Mass317.10
IUPAC Name5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(-c5cn[nH]c5)n4n3)ccc2o1
InChIInChI=1S/C16H11N7O/c17-16-21-12-5-9(1-3-14(12)24-16)11-2-4-15-18-8-13(23(15)22-11)10-6-19-20-7-10/h1-8H,(H2,17,21)(H,19,20)
InChIKeyLAEZKVJWSNMJNT-UHFFFAOYSA-N
XLogP2.51
TPSA110.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine (CID 136627149) is 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(-c5cn[nH]c5)n4n3)ccc2o1.
What is the InChIKey of 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is LAEZKVJWSNMJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7O/c17-16-21-12-5-9(1-3-14(12)24-16)11-2-4-15-18-8-13(23(15)22-11)10-6-19-20-7-10/h1-8H,(H2,17,21)(H,19,20).
What are the key properties of 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 317.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 136627149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).