2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one

C20H20FN5O2 — CID 53194589

IUPAC2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2ccncc21
InChIInChI=1S/C20H20FN5O2/c1-24-17-13-22-7-6-16(17)23-19(20(24)28)26-10-8-25(9-11-26)18(27)12-14-2-4-15(21)5-3-14/h2-7,13H,8-12H2,1H3
InChIKeyDCEVCYVWZFACAB-UHFFFAOYSA-N
MW381.41 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one

2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (PubChem CID 53194589) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
PubChem CID53194589
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2ccncc21
InChIInChI=1S/C20H20FN5O2/c1-24-17-13-22-7-6-16(17)23-19(20(24)28)26-10-8-25(9-11-26)18(27)12-14-2-4-15(21)5-3-14/h2-7,13H,8-12H2,1H3
InChIKeyDCEVCYVWZFACAB-UHFFFAOYSA-N
XLogP1.36
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[4-(2-fluoro-4-pyridin-3-ylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 42643943
2-(3-methylpyridin-2-yl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 45269367
3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyridin-2-yl]pyrido[4,3-d]pyrimidin-4-one
CID 45271029
N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide
CID 45272745
6-(4-Fluorophenyl)-2-methoxy-8-phenylpteridin-7-one
CID 3232980
2-(Dimethylamino)-6,8-diphenylpteridin-7-one
CID 3232997
8-[(4-Fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3233255
6-(3,5-Difluorophenyl)-2-(4-methylpiperazin-1-yl)-8-phenylpteridin-7-one
CID 3233281
2-(Dimethylamino)-8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
CID 3233529
8-[(4-Fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3233636
2-(Dimethylamino)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)methyl]pteridin-7-one
CID 3234348
2-(Dimethylamino)-6-(4-fluorophenyl)-8-(2-phenylethyl)pteridin-7-one
CID 3235006

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (CID 53194589) is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is Cn1c(=O)c(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2ccncc21.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The InChIKey is DCEVCYVWZFACAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-24-17-13-22-7-6-16(17)23-19(20(24)28)26-10-8-25(9-11-26)18(27)12-14-2-4-15(21)5-3-14/h2-7,13H,8-12H2,1H3.
What are the key properties of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one has a molecular weight of 381.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).