2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C98H89F5N26O4 — CID 159097010

IUPAC2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2cccnn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H22F2N6O.C25H23FN6O.2C24H22FN7O/c26-19-6-4-18(5-7-19)23-15-22(21-9-8-20(27)16-29-21)30-33(23)17-25(34)32-13-11-31(12-14-32)24-3-1-2-10-28-24;26-20-9-10-21(28-17-20)22-16-23(19-6-2-1-3-7-19)32(29-22)18-25(33)31-14-12-30(13-15-31)24-8-4-5-11-27-24;25-19-7-8-20(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;25-19-8-9-20(26-16-19)21-15-22(18-5-2-1-3-6-18)32(29-21)17-24(33)31-13-11-30(12-14-31)23-7-4-10-27-28-23/h1-10,15-16H,11-14,17H2;1-11,16-17H,12-15,18H2;2*1-10,15-16H,11-14,17H2
InChIKeyKCUJLPCUEJPJJS-UHFFFAOYSA-N
MW1789.96 g/mol
LogP12.91
Rot. Bonds20

About 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-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 159097010) has the molecular formula C98H89F5N26O4 and a molecular weight of 1789.96 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID159097010
Molecular FormulaC98H89F5N26O4
Molecular Weight1789.96 g/mol
Exact Mass1788.75
IUPAC Name2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2cccnn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H22F2N6O.C25H23FN6O.2C24H22FN7O/c26-19-6-4-18(5-7-19)23-15-22(21-9-8-20(27)16-29-21)30-33(23)17-25(34)32-13-11-31(12-14-32)24-3-1-2-10-28-24;26-20-9-10-21(28-17-20)22-16-23(19-6-2-1-3-7-19)32(29-22)18-25(33)31-14-12-30(13-15-31)24-8-4-5-11-27-24;25-19-7-8-20(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;25-19-8-9-20(26-16-19)21-15-22(18-5-2-1-3-6-18)32(29-21)17-24(33)31-13-11-30(12-14-31)23-7-4-10-27-28-23/h1-10,15-16H,11-14,17H2;1-11,16-17H,12-15,18H2;2*1-10,15-16H,11-14,17H2
InChIKeyKCUJLPCUEJPJJS-UHFFFAOYSA-N
XLogP12.91
TPSA294.38 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.96
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;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

Related Compounds

2-[5-[(4-Fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 24889657
2-[5-[(4-Fluorophenyl)methyl]-3-pyrimidin-4-ylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 67092212
2-[3-(5-Fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71572984
2-[5-(4-Fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71572986
2-[3-(5-Fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71573107
2-[5-(4-Fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71573109
2-[5-[6-(trifluoromethyl)pyridazin-3-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-[2-[5-(trifluoromethyl)pyridin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 87349831
2-[3-(4-Fluorophenyl)-5-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 89592960
2-[5-(5-Fluoro-2-pyridinyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 89592963
2-[3-(5-Fluoro-6-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 89593029
2-[3-(5-Fluoro-4-methyl-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 89593031
2-[5-(4-Fluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 89693443

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 159097010) is 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;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-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;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-c1ccc(F)cc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ccccn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2cccnn2)CC1.O=C(Cn1nc(-c2ccc(F)cn2)cc1-c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KCUJLPCUEJPJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O.C25H23FN6O.2C24H22FN7O/c26-19-6-4-18(5-7-19)23-15-22(21-9-8-20(27)16-29-21)30-33(23)17-25(34)32-13-11-31(12-14-32)24-3-1-2-10-28-24;26-20-9-10-21(28-17-20)22-16-23(19-6-2-1-3-7-19)32(29-22)18-25(33)31-14-12-30(13-15-31)24-8-4-5-11-27-24;25-19-7-8-20(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;25-19-8-9-20(26-16-19)21-15-22(18-5-2-1-3-6-18)32(29-21)17-24(33)31-13-11-30(12-14-31)23-7-4-10-27-28-23/h1-10,15-16H,11-14,17H2;1-11,16-17H,12-15,18H2;2*1-10,15-16H,11-14,17H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-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 1789.96 g/mol, XLogP of 12.91, 20 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159097010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).