4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one

C25H21ClFN5O2 — CID 53021549

IUPAC4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C25H21ClFN5O2/c26-20-15-18(27)8-9-19(20)24(33)31-13-11-30(12-14-31)23-25(34)32(16-17-5-2-1-3-6-17)22-21(29-23)7-4-10-28-22/h1-10,15H,11-14,16H2
InChIKeyRWUVPIVZTLAXLW-UHFFFAOYSA-N
MW477.93 g/mol
LogP3.59
Rot. Bonds4

About 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one

4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 53021549) has the molecular formula C25H21ClFN5O2 and a molecular weight of 477.93 g/mol. Its IUPAC name is 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
PubChem CID53021549
Molecular FormulaC25H21ClFN5O2
Molecular Weight477.93 g/mol
Exact Mass477.14
IUPAC Name4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESO=C(c1ccc(F)cc1Cl)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C25H21ClFN5O2/c26-20-15-18(27)8-9-19(20)24(33)31-13-11-30(12-14-31)23-25(34)32(16-17-5-2-1-3-6-17)22-21(29-23)7-4-10-28-22/h1-10,15H,11-14,16H2
InChIKeyRWUVPIVZTLAXLW-UHFFFAOYSA-N
XLogP3.59
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218
4-benzyl-2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53131577
4-benzyl-2-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021518
4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021537
4-benzyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 87050141
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 50781087
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
1-benzyl-3-[4-(3-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837506
methyl (2S)-2-[[4-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]propanoate
CID 95053124
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194582

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (CID 53021549) is 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is O=C(c1ccc(F)cc1Cl)N1CCN(c2nc3cccnc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is RWUVPIVZTLAXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O2/c26-20-15-18(27)8-9-19(20)24(33)31-13-11-30(12-14-31)23-25(34)32(16-17-5-2-1-3-6-17)22-21(29-23)7-4-10-28-22/h1-10,15H,11-14,16H2.
What are the key properties of 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 477.93 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 53021549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).