4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C23H19FN8O — CID 168921856

IUPAC4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C23H19FN8O/c24-18-11-17(14-26-15-18)19-3-6-31(28-19)21-13-23(30-7-9-33-10-8-30)32-22(27-21)12-20(29-32)16-1-4-25-5-2-16/h1-6,11-15H,7-10H2
InChIKeyCIKJKHUPKSXYOS-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.01
Rot. Bonds4

About 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168921856) has the molecular formula C23H19FN8O and a molecular weight of 442.46 g/mol. Its IUPAC name is 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168921856
Molecular FormulaC23H19FN8O
Molecular Weight442.46 g/mol
Exact Mass442.17
IUPAC Name4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C23H19FN8O/c24-18-11-17(14-26-15-18)19-3-6-31(28-19)21-13-23(30-7-9-33-10-8-30)32-22(27-21)12-20(29-32)16-1-4-25-5-2-16/h1-6,11-15H,7-10H2
InChIKeyCIKJKHUPKSXYOS-UHFFFAOYSA-N
XLogP3.01
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168921856) is 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Fc1cncc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1.
What is the InChIKey of 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is CIKJKHUPKSXYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8O/c24-18-11-17(14-26-15-18)19-3-6-31(28-19)21-13-23(30-7-9-33-10-8-30)32-22(27-21)12-20(29-32)16-1-4-25-5-2-16/h1-6,11-15H,7-10H2.
What are the key properties of 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 442.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(5-fluoro-3-pyridinyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168921856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).