4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine

C24H22BrFN4O — CID 1478144

IUPAC4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine
SMILESFc1ccc(-c2nc3c(Br)c(-c4ccccc4)nn3cc2CCN2CCOCC2)cc1
InChIInChI=1S/C24H22BrFN4O/c25-21-23(17-4-2-1-3-5-17)28-30-16-19(10-11-29-12-14-31-15-13-29)22(27-24(21)30)18-6-8-20(26)9-7-18/h1-9,16H,10-15H2
InChIKeyWLCSMYMGQXHOAY-UHFFFAOYSA-N
MW481.37 g/mol
LogP4.84
Rot. Bonds5

About 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine

4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine (PubChem CID 1478144) has the molecular formula C24H22BrFN4O and a molecular weight of 481.37 g/mol. Its IUPAC name is 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine
PubChem CID1478144
Molecular FormulaC24H22BrFN4O
Molecular Weight481.37 g/mol
Exact Mass480.10
IUPAC Name4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine
SMILESFc1ccc(-c2nc3c(Br)c(-c4ccccc4)nn3cc2CCN2CCOCC2)cc1
InChIInChI=1S/C24H22BrFN4O/c25-21-23(17-4-2-1-3-5-17)28-30-16-19(10-11-29-12-14-31-15-13-29)22(27-24(21)30)18-6-8-20(26)9-7-18/h1-9,16H,10-15H2
InChIKeyWLCSMYMGQXHOAY-UHFFFAOYSA-N
XLogP4.84
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine (CID 1478144) is 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine is Fc1ccc(-c2nc3c(Br)c(-c4ccccc4)nn3cc2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine?
The InChIKey is WLCSMYMGQXHOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrFN4O/c25-21-23(17-4-2-1-3-5-17)28-30-16-19(10-11-29-12-14-31-15-13-29)22(27-24(21)30)18-6-8-20(26)9-7-18/h1-9,16H,10-15H2.
What are the key properties of 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine?
4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine has a molecular weight of 481.37 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl]morpholine is sourced from PubChem (CID 1478144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).