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

C24H24N4O2 — CID 5329447

IUPAC4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1
InChIInChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
InChIKeySKZQZGSPYYHTQG-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.77
Rot. Bonds6

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

4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (PubChem CID 5329447) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
PubChem CID5329447
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
SMILESc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1
InChIInChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
InChIKeySKZQZGSPYYHTQG-UHFFFAOYSA-N
XLogP3.77
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine (CID 5329447) is 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1.
What is the InChIKey of 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
The InChIKey is SKZQZGSPYYHTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2.
What are the key properties of 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine?
4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine has a molecular weight of 400.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 5329447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).