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

C23H26FN5O2 — CID 53194700

IUPAC2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)Cc3cccc(F)c3)CC2)nc2ccncc21
InChIInChI=1S/C23H26FN5O2/c1-16(2)15-29-20-14-25-7-6-19(20)26-22(23(29)31)28-10-8-27(9-11-28)21(30)13-17-4-3-5-18(24)12-17/h3-7,12,14,16H,8-11,13,15H2,1-2H3
InChIKeyYSVGJSIJVVUZJW-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.48
Rot. Bonds5

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

2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one (PubChem CID 53194700) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
PubChem CID53194700
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)Cc3cccc(F)c3)CC2)nc2ccncc21
InChIInChI=1S/C23H26FN5O2/c1-16(2)15-29-20-14-25-7-6-19(20)26-22(23(29)31)28-10-8-27(9-11-28)21(30)13-17-4-3-5-18(24)12-17/h3-7,12,14,16H,8-11,13,15H2,1-2H3
InChIKeyYSVGJSIJVVUZJW-UHFFFAOYSA-N
XLogP2.48
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.48
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
N-[2-[4-oxo-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-2-yl]-3-pyridinyl]acetamide
CID 45272745
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoacetamide
CID 169115381
6-(4-Fluorophenyl)-2-methoxy-8-phenylpteridin-7-one
CID 3232980
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]-2-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pteridin-7-one
CID 3235181
6-(3-Fluorophenyl)-8-phenylpteridin-7-one
CID 3235393
2-(Dimethylamino)-8-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3235543
1-[(3R,5S)-1-benzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 134145066
1-Ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118271159

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one (CID 53194700) is 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one is CC(C)Cn1c(=O)c(N2CCN(C(=O)Cc3cccc(F)c3)CC2)nc2ccncc21.
What is the InChIKey of 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The InChIKey is YSVGJSIJVVUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-16(2)15-29-20-14-25-7-6-19(20)26-22(23(29)31)28-10-8-27(9-11-28)21(30)13-17-4-3-5-18(24)12-17/h3-7,12,14,16H,8-11,13,15H2,1-2H3.
What are the key properties of 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one has a molecular weight of 423.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).