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

C17H17FN4O — CID 649462

IUPAC4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C17H17FN4O/c1-12-9-17(21-5-7-23-8-6-21)22-16(19-12)11-15(20-22)13-3-2-4-14(18)10-13/h2-4,9-11H,5-8H2,1H3
InChIKeyANDWDBBSDJPBJE-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.68
Rot. Bonds2

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

4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 649462) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID649462
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C17H17FN4O/c1-12-9-17(21-5-7-23-8-6-21)22-16(19-12)11-15(20-22)13-3-2-4-14(18)10-13/h2-4,9-11H,5-8H2,1H3
InChIKeyANDWDBBSDJPBJE-UHFFFAOYSA-N
XLogP2.68
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 649462) is 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is ANDWDBBSDJPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-12-9-17(21-5-7-23-8-6-21)22-16(19-12)11-15(20-22)13-3-2-4-14(18)10-13/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 312.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 649462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).