2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone

C26H32FN7O — CID 59564661

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3cnc(N4CCCC(F)C4)nc3)CC2)n1
InChIInChI=1S/C26H32FN7O/c1-19-14-20(2)34(30-19)18-25(35)32-12-10-31(11-13-32)24-8-4-3-7-23(24)21-15-28-26(29-16-21)33-9-5-6-22(27)17-33/h3-4,7-8,14-16,22H,5-6,9-13,17-18H2,1-2H3
InChIKeyNSGGKHKYGDETQG-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.24
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 59564661) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID59564661
Molecular FormulaC26H32FN7O
Molecular Weight477.59 g/mol
Exact Mass477.27
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3cnc(N4CCCC(F)C4)nc3)CC2)n1
InChIInChI=1S/C26H32FN7O/c1-19-14-20(2)34(30-19)18-25(35)32-12-10-31(11-13-32)24-8-4-3-7-23(24)21-15-28-26(29-16-21)33-9-5-6-22(27)17-33/h3-4,7-8,14-16,22H,5-6,9-13,17-18H2,1-2H3
InChIKeyNSGGKHKYGDETQG-UHFFFAOYSA-N
XLogP3.24
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[4-[2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 59564376
1-[4-[2-[2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 59564464
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-ethoxypyrimidin-5-yl)phenyl]piperazin-1-yl]ethanone
CID 59564527
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-[methyl(methylidene)-λ4-sulfanyl]pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone
CID 91199354
N-[5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]propanamide
CID 90309892
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
CID 59564488
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(4-ethoxyphenyl)phenyl]piperazin-1-yl]ethanone
CID 59564501
N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide
CID 59564405
1-[4-[2-[4-(dimethylaminosulfanyl)phenyl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 91567556
5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one
CID 70833974
1-[4-[2-(1,3-benzothiazol-5-yl)phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 68762857
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(5-phenylthiophen-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59564554

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone (CID 59564661) is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3cnc(N4CCCC(F)C4)nc3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is NSGGKHKYGDETQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-19-14-20(2)34(30-19)18-25(35)32-12-10-31(11-13-32)24-8-4-3-7-23(24)21-15-28-26(29-16-21)33-9-5-6-22(27)17-33/h3-4,7-8,14-16,22H,5-6,9-13,17-18H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 477.59 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(3-fluoropiperidin-1-yl)pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59564661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).