[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H24FN5O — CID 109285584

IUPAC[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC(C)(C)Nc1cnc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H24FN5O/c1-19(2,3)23-17-13-21-16(12-22-17)18(26)25-10-8-24(9-11-25)15-6-4-14(20)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)
InChIKeyUUGOKDCBUMRNMO-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.79
Rot. Bonds3

About [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109285584) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109285584
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC(C)(C)Nc1cnc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H24FN5O/c1-19(2,3)23-17-13-21-16(12-22-17)18(26)25-10-8-24(9-11-25)15-6-4-14(20)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)
InChIKeyUUGOKDCBUMRNMO-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285588
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)pyrazin-2-yl]methanone
CID 109278506
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109281692
(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
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
CID 109193488

Frequently Asked Questions

What is the IUPAC name of [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109285584) is [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CC(C)(C)Nc1cnc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is UUGOKDCBUMRNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-19(2,3)23-17-13-21-16(12-22-17)18(26)25-10-8-24(9-11-25)15-6-4-14(20)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,22,23).
What are the key properties of [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109285584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).