[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H21FN6O — CID 109281692

IUPAC[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCc2ccc(F)cc2)cn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21FN6O/c22-17-6-4-16(5-7-17)13-25-19-15-24-18(14-26-19)21(29)28-11-9-27(10-12-28)20-3-1-2-8-23-20/h1-8,14-15H,9-13H2,(H,25,26)
InChIKeyABBVBTJMHQORKO-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.59
Rot. Bonds5

About [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109281692) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109281692
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cnc(NCc2ccc(F)cc2)cn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21FN6O/c22-17-6-4-16(5-7-17)13-25-19-15-24-18(14-26-19)21(29)28-11-9-27(10-12-28)20-3-1-2-8-23-20/h1-8,14-15H,9-13H2,(H,25,26)
InChIKeyABBVBTJMHQORKO-UHFFFAOYSA-N
XLogP2.59
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109170652
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
[5-(2-methoxyanilino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109286594
[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109280389
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
furan-2-yl-[4-[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]piperazin-1-yl]methanone
CID 109283092
[2-(benzylamino)-6-methylpyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109327103
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109281775

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109281692) is [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cnc(NCc2ccc(F)cc2)cn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ABBVBTJMHQORKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-17-6-4-16(5-7-17)13-25-19-15-24-18(14-26-19)21(29)28-11-9-27(10-12-28)20-3-1-2-8-23-20/h1-8,14-15H,9-13H2,(H,25,26).
What are the key properties of [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 392.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109281692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).