4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C23H20N8O — CID 166064351

IUPAC4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncn5)cc4n3)n2)cc1
InChIInChI=1S/C23H20N8O/c1-2-4-17(5-3-1)18-7-9-30(27-18)21-15-23(29-10-12-32-13-11-29)31-22(26-21)14-20(28-31)19-6-8-24-16-25-19/h1-9,14-16H,10-13H2
InChIKeyJIUYVQVTQRRWFO-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.88
Rot. Bonds4

About 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 166064351) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID166064351
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncn5)cc4n3)n2)cc1
InChIInChI=1S/C23H20N8O/c1-2-4-17(5-3-1)18-7-9-30(27-18)21-15-23(29-10-12-32-13-11-29)31-22(26-21)14-20(28-31)19-6-8-24-16-25-19/h1-9,14-16H,10-13H2
InChIKeyJIUYVQVTQRRWFO-UHFFFAOYSA-N
XLogP2.88
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 166064351) is 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncn5)cc4n3)n2)cc1.
What is the InChIKey of 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is JIUYVQVTQRRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-2-4-17(5-3-1)18-7-9-30(27-18)21-15-23(29-10-12-32-13-11-29)31-22(26-21)14-20(28-31)19-6-8-24-16-25-19/h1-9,14-16H,10-13H2.
What are the key properties of 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 424.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-phenylpyrazol-1-yl)-2-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 166064351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).