4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine

C22H15FN6 — CID 6539405

IUPAC4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C22H15FN6/c23-16-10-8-15(9-11-16)21-20(19-7-4-13-25-29(19)28-21)18-12-14-24-22(27-18)26-17-5-2-1-3-6-17/h1-14H,(H,24,26,27)
InChIKeyWBNBKUXDNWEDOY-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine

4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine (PubChem CID 6539405) has the molecular formula C22H15FN6 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
PubChem CID6539405
Molecular FormulaC22H15FN6
Molecular Weight382.40 g/mol
Exact Mass382.13
IUPAC Name4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C22H15FN6/c23-16-10-8-15(9-11-16)21-20(19-7-4-13-25-29(19)28-21)18-12-14-24-22(27-18)26-17-5-2-1-3-6-17/h1-14H,(H,24,26,27)
InChIKeyWBNBKUXDNWEDOY-UHFFFAOYSA-N
XLogP4.74
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine (CID 6539405) is 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine is Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is WBNBKUXDNWEDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6/c23-16-10-8-15(9-11-16)21-20(19-7-4-13-25-29(19)28-21)18-12-14-24-22(27-18)26-17-5-2-1-3-6-17/h1-14H,(H,24,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine?
4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 382.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 6539405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).