[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone

C23H19FN4O2 — CID 46080139

IUPAC[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12)N1CCOCC1
InChIInChI=1S/C23H19FN4O2/c24-18-9-5-4-8-17(18)20-14-21(23(29)27-10-12-30-13-11-27)28-22(25-20)15-19(26-28)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyNSLDYKDNOVHEAY-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.67
Rot. Bonds3

About [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone

[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone (PubChem CID 46080139) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone
PubChem CID46080139
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12)N1CCOCC1
InChIInChI=1S/C23H19FN4O2/c24-18-9-5-4-8-17(18)20-14-21(23(29)27-10-12-30-13-11-27)28-22(25-20)15-19(26-28)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyNSLDYKDNOVHEAY-UHFFFAOYSA-N
XLogP3.67
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone (CID 46080139) is [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12)N1CCOCC1.
What is the InChIKey of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is NSLDYKDNOVHEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-18-9-5-4-8-17(18)20-14-21(23(29)27-10-12-30-13-11-27)28-22(25-20)15-19(26-28)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2.
What are the key properties of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 402.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46080139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).