2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

C24H23FN4 — CID 3229995

IUPAC2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)C1
InChIInChI=1S/C24H23FN4/c1-17-6-5-13-28(16-17)24-15-21(18-7-3-2-4-8-18)26-23-14-22(27-29(23)24)19-9-11-20(25)12-10-19/h2-4,7-12,14-15,17H,5-6,13,16H2,1H3
InChIKeyXDOKRTUTGROGPG-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.44
Rot. Bonds3

About 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3229995) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3229995
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)C1
InChIInChI=1S/C24H23FN4/c1-17-6-5-13-28(16-17)24-15-21(18-7-3-2-4-8-18)26-23-14-22(27-29(23)24)19-9-11-20(25)12-10-19/h2-4,7-12,14-15,17H,5-6,13,16H2,1H3
InChIKeyXDOKRTUTGROGPG-UHFFFAOYSA-N
XLogP5.44
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 3229995) is 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is CC1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)C1.
What is the InChIKey of 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XDOKRTUTGROGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4/c1-17-6-5-13-28(16-17)24-15-21(18-7-3-2-4-8-18)26-23-14-22(27-29(23)24)19-9-11-20(25)12-10-19/h2-4,7-12,14-15,17H,5-6,13,16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 386.47 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3229995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).