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

C27H27N5O3 — CID 53021537

IUPAC4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCCOc1ccc(C(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1
InChIInChI=1S/C27H27N5O3/c1-2-35-22-12-10-21(11-13-22)26(33)31-17-15-30(16-18-31)25-27(34)32(19-20-7-4-3-5-8-20)24-23(29-25)9-6-14-28-24/h3-14H,2,15-19H2,1H3
InChIKeyWXDRDBCPBMEASU-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.20
Rot. Bonds6

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

4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 53021537) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
PubChem CID53021537
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCCOc1ccc(C(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1
InChIInChI=1S/C27H27N5O3/c1-2-35-22-12-10-21(11-13-22)26(33)31-17-15-30(16-18-31)25-27(34)32(19-20-7-4-3-5-8-20)24-23(29-25)9-6-14-28-24/h3-14H,2,15-19H2,1H3
InChIKeyWXDRDBCPBMEASU-UHFFFAOYSA-N
XLogP3.20
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[3-(dimethylamino)benzoyl]piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021518
4-benzyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 87050141
4-benzyl-2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53131577
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021549
methyl (2S)-2-[[4-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]propanoate
CID 95053124
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
8-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 50757305
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one (CID 53021537) is 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is CCOc1ccc(C(=O)N2CCN(c3nc4cccnc4n(Cc4ccccc4)c3=O)CC2)cc1.
What is the InChIKey of 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is WXDRDBCPBMEASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-2-35-22-12-10-21(11-13-22)26(33)31-17-15-30(16-18-31)25-27(34)32(19-20-7-4-3-5-8-20)24-23(29-25)9-6-14-28-24/h3-14H,2,15-19H2,1H3.
What are the key properties of 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one?
4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 469.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 53021537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).