4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine

C28H31FN6O — CID 655976

IUPAC4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(CCN5CCOCC5)CC4)n3n2)cc1
InChIInChI=1S/C28H31FN6O/c29-24-8-6-23(7-9-24)26-20-27-30-25(22-4-2-1-3-5-22)21-28(35(27)31-26)34-14-12-32(13-15-34)10-11-33-16-18-36-19-17-33/h1-9,20-21H,10-19H2
InChIKeyXTBYHUKHLJIHCW-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.66
Rot. Bonds6

About 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine

4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine (PubChem CID 655976) has the molecular formula C28H31FN6O and a molecular weight of 486.60 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine
PubChem CID655976
Molecular FormulaC28H31FN6O
Molecular Weight486.60 g/mol
Exact Mass486.25
IUPAC Name4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(CCN5CCOCC5)CC4)n3n2)cc1
InChIInChI=1S/C28H31FN6O/c29-24-8-6-23(7-9-24)26-20-27-30-25(22-4-2-1-3-5-22)21-28(35(27)31-26)34-14-12-32(13-15-34)10-11-33-16-18-36-19-17-33/h1-9,20-21H,10-19H2
InChIKeyXTBYHUKHLJIHCW-UHFFFAOYSA-N
XLogP3.66
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine (CID 655976) is 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine is Fc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(CCN5CCOCC5)CC4)n3n2)cc1.
What is the InChIKey of 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is XTBYHUKHLJIHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O/c29-24-8-6-23(7-9-24)26-20-27-30-25(22-4-2-1-3-5-22)21-28(35(27)31-26)34-14-12-32(13-15-34)10-11-33-16-18-36-19-17-33/h1-9,20-21H,10-19H2.
What are the key properties of 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 486.60 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 655976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).