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

C19H17F2N5O2 — CID 53194584

IUPAC2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc2ccncc21
InChIInChI=1S/C19H17F2N5O2/c1-24-16-11-22-5-4-15(16)23-17(19(24)28)25-6-8-26(9-7-25)18(27)13-3-2-12(20)10-14(13)21/h2-5,10-11H,6-9H2,1H3
InChIKeyZDFGPWRTJGNGOE-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.57
Rot. Bonds2

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

2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (PubChem CID 53194584) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
PubChem CID53194584
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc2ccncc21
InChIInChI=1S/C19H17F2N5O2/c1-24-16-11-22-5-4-15(16)23-17(19(24)28)25-6-8-26(9-7-25)18(27)13-3-2-12(20)10-14(13)21/h2-5,10-11H,6-9H2,1H3
InChIKeyZDFGPWRTJGNGOE-UHFFFAOYSA-N
XLogP1.57
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (CID 53194584) is 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is Cn1c(=O)c(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc2ccncc21.
What is the InChIKey of 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The InChIKey is ZDFGPWRTJGNGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-24-16-11-22-5-4-15(16)23-17(19(24)28)25-6-8-26(9-7-25)18(27)13-3-2-12(20)10-14(13)21/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one has a molecular weight of 385.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).