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

C16H10F2N6 — CID 6539370

IUPACN-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1F
InChIInChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)
InChIKeyBLZGDFUGFILBJG-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.21
Rot. Bonds3

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

N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539370) has the molecular formula C16H10F2N6 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539370
Molecular FormulaC16H10F2N6
Molecular Weight324.29 g/mol
Exact Mass324.09
IUPAC NameN-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1F
InChIInChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)
InChIKeyBLZGDFUGFILBJG-UHFFFAOYSA-N
XLogP3.21
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539370) is N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is Fc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is BLZGDFUGFILBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23).
What are the key properties of N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 324.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).