2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

C20H18F2N4O2 — CID 24936428

IUPAC2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2n[nH]c3ccc(F)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c21-14-3-1-13(2-4-14)18(27)12-25-7-9-26(10-8-25)20(28)19-16-11-15(22)5-6-17(16)23-24-19/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyHJIOICGNIDMQMS-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.48
Rot. Bonds4

About 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 24936428) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID24936428
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2n[nH]c3ccc(F)cc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c21-14-3-1-13(2-4-14)18(27)12-25-7-9-26(10-8-25)20(28)19-16-11-15(22)5-6-17(16)23-24-19/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyHJIOICGNIDMQMS-UHFFFAOYSA-N
XLogP2.48
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
CID 24937693
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78858955
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78864956
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 24936428) is 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCN(C(=O)c2n[nH]c3ccc(F)cc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is HJIOICGNIDMQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-14-3-1-13(2-4-14)18(27)12-25-7-9-26(10-8-25)20(28)19-16-11-15(22)5-6-17(16)23-24-19/h1-6,11H,7-10,12H2,(H,23,24).
What are the key properties of 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 384.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-1H-indazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 24936428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).