2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C24H22FN7O — CID 71573107

IUPAC2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H22FN7O/c25-19-7-8-20(28-16-19)21-15-22(18-5-2-1-3-6-18)32(29-21)17-23(33)30-11-13-31(14-12-30)24-26-9-4-10-27-24/h1-10,15-16H,11-14,17H2
InChIKeyDFARUSHAVFVKRB-UHFFFAOYSA-N
MW443.49 g/mol
LogP2.89
Rot. Bonds5

About 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71573107) has the molecular formula C24H22FN7O and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71573107
Molecular FormulaC24H22FN7O
Molecular Weight443.49 g/mol
Exact Mass443.19
IUPAC Name2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H22FN7O/c25-19-7-8-20(28-16-19)21-15-22(18-5-2-1-3-6-18)32(29-21)17-23(33)30-11-13-31(14-12-30)24-26-9-4-10-27-24/h1-10,15-16H,11-14,17H2
InChIKeyDFARUSHAVFVKRB-UHFFFAOYSA-N
XLogP2.89
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone 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-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71573107) is 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DFARUSHAVFVKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O/c25-19-7-8-20(28-16-19)21-15-22(18-5-2-1-3-6-18)32(29-21)17-23(33)30-11-13-31(14-12-30)24-26-9-4-10-27-24/h1-10,15-16H,11-14,17H2.
What are the key properties of 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 443.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71573107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).