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

C23H19FN4O — CID 46080138

IUPAC[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12)N1CCCC1
InChIInChI=1S/C23H19FN4O/c24-18-11-5-4-10-17(18)20-14-21(23(29)27-12-6-7-13-27)28-22(25-20)15-19(26-28)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2
InChIKeyAPOFCQMWWVAYQZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.44
Rot. Bonds3

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

[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 46080138) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
PubChem CID46080138
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12)N1CCCC1
InChIInChI=1S/C23H19FN4O/c24-18-11-5-4-10-17(18)20-14-21(23(29)27-12-6-7-13-27)28-22(25-20)15-19(26-28)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2
InChIKeyAPOFCQMWWVAYQZ-UHFFFAOYSA-N
XLogP4.44
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone (CID 46080138) is [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12)N1CCCC1.
What is the InChIKey of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is APOFCQMWWVAYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-18-11-5-4-10-17(18)20-14-21(23(29)27-12-6-7-13-27)28-22(25-20)15-19(26-28)16-8-2-1-3-9-16/h1-5,8-11,14-15H,6-7,12-13H2.
What are the key properties of [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone?
[5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 386.43 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46080138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).