[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C22H22FN5O — CID 109286388

IUPAC[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(Nc4ccccc4F)cn3)CC2)c1
InChIInChI=1S/C22H22FN5O/c1-16-5-4-6-17(13-16)27-9-11-28(12-10-27)22(29)20-14-25-21(15-24-20)26-19-8-3-2-7-18(19)23/h2-8,13-15H,9-12H2,1H3,(H,25,26)
InChIKeyDLPMWANIODWWJJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.63
Rot. Bonds4

About [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109286388) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109286388
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cnc(Nc4ccccc4F)cn3)CC2)c1
InChIInChI=1S/C22H22FN5O/c1-16-5-4-6-17(13-16)27-9-11-28(12-10-27)22(29)20-14-25-21(15-24-20)26-19-8-3-2-7-18(19)23/h2-8,13-15H,9-12H2,1H3,(H,25,26)
InChIKeyDLPMWANIODWWJJ-UHFFFAOYSA-N
XLogP3.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,3-dimethylanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285519
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
[5-(3,4-difluoroanilino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109285538
N-(2-fluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957301
[5-(3-fluoroanilino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109194252
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
[4-(3-methylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276969
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
[2-(2-methylanilino)pyrimidin-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109261992
[6-(3-fluoroanilino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352947
[5-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109286387
4-[5-(2,6-difluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278873

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109286388) is [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cnc(Nc4ccccc4F)cn3)CC2)c1.
What is the InChIKey of [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is DLPMWANIODWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-16-5-4-6-17(13-16)27-9-11-28(12-10-27)22(29)20-14-25-21(15-24-20)26-19-8-3-2-7-18(19)23/h2-8,13-15H,9-12H2,1H3,(H,25,26).
What are the key properties of [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 391.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoroanilino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109286388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).