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

C22H26FN7O — CID 71571858

IUPAC2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCCc1cc(-c2cc(F)c(C)cn2)nn1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H26FN7O/c1-3-5-17-12-20(19-13-18(23)16(2)14-26-19)27-30(17)15-21(31)28-8-10-29(11-9-28)22-24-6-4-7-25-22/h4,6-7,12-14H,3,5,8-11,15H2,1-2H3
InChIKeyUYELZFBDLDOGMV-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.48
Rot. Bonds6

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

2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71571858) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71571858
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCCc1cc(-c2cc(F)c(C)cn2)nn1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H26FN7O/c1-3-5-17-12-20(19-13-18(23)16(2)14-26-19)27-30(17)15-21(31)28-8-10-29(11-9-28)22-24-6-4-7-25-22/h4,6-7,12-14H,3,5,8-11,15H2,1-2H3
InChIKeyUYELZFBDLDOGMV-UHFFFAOYSA-N
XLogP2.48
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-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-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71571959
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110773513
2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168
2-(2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4816169
2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71571966
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 24631702
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 59559568
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71571858) is 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CCCc1cc(-c2cc(F)c(C)cn2)nn1CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UYELZFBDLDOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-3-5-17-12-20(19-13-18(23)16(2)14-26-19)27-30(17)15-21(31)28-8-10-29(11-9-28)22-24-6-4-7-25-22/h4,6-7,12-14H,3,5,8-11,15H2,1-2H3.
What are the key properties of 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 423.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71571858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).