4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid

C26H25FN4O6 — CID 91591652

IUPAC4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1ccc(CCN2CCN(C(=O)O)C(C(=O)O)C2)cc1
InChIInChI=1S/C26H25FN4O6/c27-18-5-3-17(4-6-18)23(33)20-9-10-22(32)31(24(20)28)19-7-1-16(2-8-19)11-12-29-13-14-30(26(36)37)21(15-29)25(34)35/h1-10,21H,11-15,28H2,(H,34,35)(H,36,37)
InChIKeyCFUTVUPCNYJMNH-UHFFFAOYSA-N
MW508.51 g/mol
LogP2.08
Rot. Bonds7

About 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid

4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid (PubChem CID 91591652) has the molecular formula C26H25FN4O6 and a molecular weight of 508.51 g/mol. Its IUPAC name is 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid
PubChem CID91591652
Molecular FormulaC26H25FN4O6
Molecular Weight508.51 g/mol
Exact Mass508.18
IUPAC Name4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1ccc(CCN2CCN(C(=O)O)C(C(=O)O)C2)cc1
InChIInChI=1S/C26H25FN4O6/c27-18-5-3-17(4-6-18)23(33)20-9-10-22(32)31(24(20)28)19-7-1-16(2-8-19)11-12-29-13-14-30(26(36)37)21(15-29)25(34)35/h1-10,21H,11-15,28H2,(H,34,35)(H,36,37)
InChIKeyCFUTVUPCNYJMNH-UHFFFAOYSA-N
XLogP2.08
TPSA146.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid with MolForge

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Related Compounds

6-amino-5-(4-fluorobenzoyl)-1-(4-methoxyphenyl)pyridin-2-one
CID 58608709
6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one
CID 11660092
6-amino-5-(4-fluorobenzoyl)-1-(3-phenylphenyl)pyridin-2-one
CID 11632397
6-amino-5-(4-fluorobenzoyl)-1-(3-pyrrol-1-ylphenyl)pyridin-2-one
CID 11501644
6-amino-5-benzoyl-1-phenylpyridin-2-one
CID 11644976
4-[2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]ethyl]-1-cyclopentyloxycarbonylpiperazine-2-carboxylic acid
CID 68930113
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one
CID 143854829
cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
CID 67445685
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(3-morpholin-4-ylpropyl)phenyl]methanone chloride
CID 56946918
2-[[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]methylamino]-2-cyclopentyl-3-phenylpropanoic acid
CID 67447666
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid?
The IUPAC name of 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid (CID 91591652) is 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid?
The canonical SMILES for 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid is Nc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1ccc(CCN2CCN(C(=O)O)C(C(=O)O)C2)cc1.
What is the InChIKey of 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid?
The InChIKey is CFUTVUPCNYJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O6/c27-18-5-3-17(4-6-18)23(33)20-9-10-22(32)31(24(20)28)19-7-1-16(2-8-19)11-12-29-13-14-30(26(36)37)21(15-29)25(34)35/h1-10,21H,11-15,28H2,(H,34,35)(H,36,37).
What are the key properties of 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid?
4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid has a molecular weight of 508.51 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-amino-3-(4-fluorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethyl]piperazine-1,2-dicarboxylic acid is sourced from PubChem (CID 91591652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).