4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid

C26H27FN4O5 — CID 123930706

IUPAC4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid
SMILESO=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)C(=O)C(CN2CCN(C(=O)O)CC2)CC3)cc1
InChIInChI=1S/C26H27FN4O5/c27-19-6-8-21-20(13-19)23-22(31(21)14-16-1-3-17(4-2-16)25(33)28-36)7-5-18(24(23)32)15-29-9-11-30(12-10-29)26(34)35/h1-4,6,8,13,18,36H,5,7,9-12,14-15H2,(H,28,33)(H,34,35)
InChIKeyDVQCOIVZTZWDMI-UHFFFAOYSA-N
MW494.52 g/mol
LogP2.99
Rot. Bonds5

About 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid

4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid (PubChem CID 123930706) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid
PubChem CID123930706
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid
SMILESO=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)C(=O)C(CN2CCN(C(=O)O)CC2)CC3)cc1
InChIInChI=1S/C26H27FN4O5/c27-19-6-8-21-20(13-19)23-22(31(21)14-16-1-3-17(4-2-16)25(33)28-36)7-5-18(24(23)32)15-29-9-11-30(12-10-29)26(34)35/h1-4,6,8,13,18,36H,5,7,9-12,14-15H2,(H,28,33)(H,34,35)
InChIKeyDVQCOIVZTZWDMI-UHFFFAOYSA-N
XLogP2.99
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide
CID 71526559
tert-butyl 4-[[9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylate
CID 71526019
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151543423
3-[(2,6-dimethylmorpholin-4-yl)methyl]-6-fluoro-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one
CID 159671184
4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118211667
4-[[8-fluoro-2-[2-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl]methyl]-N-nitrosobenzamide
CID 123289591
9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid
CID 90878202
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
4-[(2-benzyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)methyl]-N-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 56950703
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide
CID 50899532
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide
CID 118868657

Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid (CID 123930706) is 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid is O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)C(=O)C(CN2CCN(C(=O)O)CC2)CC3)cc1.
What is the InChIKey of 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid?
The InChIKey is DVQCOIVZTZWDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O5/c27-19-6-8-21-20(13-19)23-22(31(21)14-16-1-3-17(4-2-16)25(33)28-36)7-5-18(24(23)32)15-29-9-11-30(12-10-29)26(34)35/h1-4,6,8,13,18,36H,5,7,9-12,14-15H2,(H,28,33)(H,34,35).
What are the key properties of 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid?
4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid has a molecular weight of 494.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-fluoro-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-3-yl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 123930706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).