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

C24H20FN7O — CID 163266559

IUPAC4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C24H20FN7O/c25-19-3-1-17(2-4-19)20-7-10-31(28-20)22-16-24(30-11-13-33-14-12-30)32-23(27-22)15-21(29-32)18-5-8-26-9-6-18/h1-10,15-16H,11-14H2
InChIKeyLFZGNNJQGBCXNR-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.62
Rot. Bonds4

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

4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 163266559) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID163266559
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1
InChIInChI=1S/C24H20FN7O/c25-19-3-1-17(2-4-19)20-7-10-31(28-20)22-16-24(30-11-13-33-14-12-30)32-23(27-22)15-21(29-32)18-5-8-26-9-6-18/h1-10,15-16H,11-14H2
InChIKeyLFZGNNJQGBCXNR-UHFFFAOYSA-N
XLogP3.62
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 163266559) is 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Fc1ccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)cc1.
What is the InChIKey of 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is LFZGNNJQGBCXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c25-19-3-1-17(2-4-19)20-7-10-31(28-20)22-16-24(30-11-13-33-14-12-30)32-23(27-22)15-21(29-32)18-5-8-26-9-6-18/h1-10,15-16H,11-14H2.
What are the key properties of 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 441.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-fluorophenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 163266559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).