3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal

C19H23FN4O2 — CID 146243028

IUPAC3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
SMILESCN1CCN(c2nc(CCC=O)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C19H23FN4O2/c1-22-8-10-23(11-9-22)18-19(26)24(14-17(21-18)3-2-12-25)13-15-4-6-16(20)7-5-15/h4-7,12,14H,2-3,8-11,13H2,1H3
InChIKeyFNHNOSKQIBJFKR-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.31
Rot. Bonds6

About 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal

3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal (PubChem CID 146243028) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
PubChem CID146243028
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
SMILESCN1CCN(c2nc(CCC=O)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C19H23FN4O2/c1-22-8-10-23(11-9-22)18-19(26)24(14-17(21-18)3-2-12-25)13-15-4-6-16(20)7-5-15/h4-7,12,14H,2-3,8-11,13H2,1H3
InChIKeyFNHNOSKQIBJFKR-UHFFFAOYSA-N
XLogP1.31
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one
CID 25884627
6-ethyl-2-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4(3H)-one
CID 49813871
6-ethyl-2-(3-fluorophenyl)-3-[2-oxo-2-(piperidin-1-yl)ethyl]pyrimidin-4(3H)-one
CID 49813925
2-[7-Benzyl-2-(4-fluorophenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-3-YL]-N,N-diethylacetamide
CID 53031291
3-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one
CID 25884761
2-(4-fluorophenyl)-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4(3H)-one
CID 49815714
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)-6-methylpyrimidin-4(3H)-one
CID 49815721
N-[[6-amino-5-[3-[2-(3-fluorophenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-methylidene-2H-pyridin-4-yl]methyl]formamide
CID 57148022
(2S)-N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 58581595
N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 67317864
(2S)-N-[4-[2-(1,4-dihydroisoindol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 68806558
1-(2,4,5-Trifluorobenzyl)-3-(4-tert-butoxycarbonyl-1-piperazinyl)-2(1h)-pyrazinone
CID 69366630

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal?
The IUPAC name of 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal (CID 146243028) is 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal?
The canonical SMILES for 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal is CN1CCN(c2nc(CCC=O)cn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal?
The InChIKey is FNHNOSKQIBJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-22-8-10-23(11-9-22)18-19(26)24(14-17(21-18)3-2-12-25)13-15-4-6-16(20)7-5-15/h4-7,12,14H,2-3,8-11,13H2,1H3.
What are the key properties of 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal?
3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal has a molecular weight of 358.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal is sourced from PubChem (CID 146243028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).