2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one

C27H24FN5O4 — CID 134797009

IUPAC2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)nc3cccnc32)cc1
InChIInChI=1S/C27H24FN5O4/c1-37-19-10-8-18(9-11-19)17-33-24-22(7-4-12-29-24)30-23(27(33)36)26(35)32-15-13-31(14-16-32)25(34)20-5-2-3-6-21(20)28/h2-12H,13-17H2,1H3
InChIKeyWSEYZIFCDFLGIQ-UHFFFAOYSA-N
MW501.52 g/mol
LogP2.59
Rot. Bonds5

About 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one

2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 134797009) has the molecular formula C27H24FN5O4 and a molecular weight of 501.52 g/mol. Its IUPAC name is 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID134797009
Molecular FormulaC27H24FN5O4
Molecular Weight501.52 g/mol
Exact Mass501.18
IUPAC Name2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(Cn2c(=O)c(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)nc3cccnc32)cc1
InChIInChI=1S/C27H24FN5O4/c1-37-19-10-8-18(9-11-19)17-33-24-22(7-4-12-29-24)30-23(27(33)36)26(35)32-15-13-31(14-16-32)25(34)20-5-2-3-6-21(20)28/h2-12H,13-17H2,1H3
InChIKeyWSEYZIFCDFLGIQ-UHFFFAOYSA-N
XLogP2.59
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-methoxyphenyl)methyl]-2-(morpholine-4-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134797092
2-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-4-[(2-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 134796068
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797015
2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 134797840
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
4-benzyl-2-[4-(4-ethoxybenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021537
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
4-benzyl-2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021549
CID 134798005
CID 134798005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one (CID 134797009) is 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is COc1ccc(Cn2c(=O)c(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)nc3cccnc32)cc1.
What is the InChIKey of 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is WSEYZIFCDFLGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O4/c1-37-19-10-8-18(9-11-19)17-33-24-22(7-4-12-29-24)30-23(27(33)36)26(35)32-15-13-31(14-16-32)25(34)20-5-2-3-6-21(20)28/h2-12H,13-17H2,1H3.
What are the key properties of 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one?
2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 501.52 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-4-[(4-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134797009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).