[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C21H19F2N5O — CID 109285538

IUPAC[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccc(F)c(F)c2)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H19F2N5O/c22-17-7-6-15(12-18(17)23)26-20-14-24-19(13-25-20)21(29)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,25,26)
InChIKeyNJUIPKFCSHIDBY-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.46
Rot. Bonds4

About [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109285538) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109285538
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccc(F)c(F)c2)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H19F2N5O/c22-17-7-6-15(12-18(17)23)26-20-14-24-19(13-25-20)21(29)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,25,26)
InChIKeyNJUIPKFCSHIDBY-UHFFFAOYSA-N
XLogP3.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(3,4-difluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279160
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
4-[5-(3-chloro-4-fluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278818
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286388
[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304
4-[5-(2,6-difluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278873

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109285538) is [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cnc(Nc2ccc(F)c(F)c2)cn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is NJUIPKFCSHIDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-17-7-6-15(12-18(17)23)26-20-14-24-19(13-25-20)21(29)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H,25,26).
What are the key properties of [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 395.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109285538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).