(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C21H20FN5O — CID 109285593

IUPAC(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)cn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN5O/c22-16-6-8-18(9-7-16)26-10-12-27(13-11-26)21(28)19-14-24-20(15-23-19)25-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,25)
InChIKeyZXAQNFMLORWVPM-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.32
Rot. Bonds4

About (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109285593) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109285593
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)cn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN5O/c22-16-6-8-18(9-7-16)26-10-12-27(13-11-26)21(28)19-14-24-20(15-23-19)25-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,25)
InChIKeyZXAQNFMLORWVPM-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285538
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285584
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428

Frequently Asked Questions

What is the IUPAC name of (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109285593) is (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cnc(Nc2ccccc2)cn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ZXAQNFMLORWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-16-6-8-18(9-7-16)26-10-12-27(13-11-26)21(28)19-14-24-20(15-23-19)25-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,25).
What are the key properties of (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109285593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).