4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine

C20H19N7O — CID 155555850

IUPAC4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)cc1
InChIInChI=1S/C20H19N7O/c1-2-4-15(5-3-1)23-20-21-9-8-17(24-20)16-14-22-27-18(16)6-7-19(25-27)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,21,23,24)
InChIKeyOZCGAWYOCAENEI-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.77
Rot. Bonds4

About 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine

4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine (PubChem CID 155555850) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
PubChem CID155555850
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)cc1
InChIInChI=1S/C20H19N7O/c1-2-4-15(5-3-1)23-20-21-9-8-17(24-20)16-14-22-27-18(16)6-7-19(25-27)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,21,23,24)
InChIKeyOZCGAWYOCAENEI-UHFFFAOYSA-N
XLogP2.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine (CID 155555850) is 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine is c1ccc(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)cc1.
What is the InChIKey of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is OZCGAWYOCAENEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-2-4-15(5-3-1)23-20-21-9-8-17(24-20)16-14-22-27-18(16)6-7-19(25-27)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,21,23,24).
What are the key properties of 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine?
4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 373.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 155555850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).