N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C19H13N7O — CID 10172326

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(-c2cnco2)c1
InChIInChI=1S/C19H13N7O/c1-3-13(18-11-20-12-27-18)9-14(4-1)24-19-21-8-6-16(25-19)15-10-23-26-17(15)5-2-7-22-26/h1-12H,(H,21,24,25)
InChIKeySYAYIIIJZNUJPQ-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.58
Rot. Bonds4

About N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 10172326) has the molecular formula C19H13N7O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID10172326
Molecular FormulaC19H13N7O
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(-c2cnco2)c1
InChIInChI=1S/C19H13N7O/c1-3-13(18-11-20-12-27-18)9-14(4-1)24-19-21-8-6-16(25-19)15-10-23-26-17(15)5-2-7-22-26/h1-12H,(H,21,24,25)
InChIKeySYAYIIIJZNUJPQ-UHFFFAOYSA-N
XLogP3.58
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-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 N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 10172326) is N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is c1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(-c2cnco2)c1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is SYAYIIIJZNUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O/c1-3-13(18-11-20-12-27-18)9-14(4-1)24-19-21-8-6-16(25-19)15-10-23-26-17(15)5-2-7-22-26/h1-12H,(H,21,24,25).
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 355.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 10172326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).