4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide

C24H27FN4O3 — CID 118148197

IUPAC4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(C)(F)C(=O)N1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C24H27FN4O3/c1-24(2,25)23(31)28-12-8-17(9-13-28)19-7-11-26-21-20(19)10-14-29(21)15-16-3-5-18(6-4-16)22(30)27-32/h3-7,10-11,14,17,32H,8-9,12-13,15H2,1-2H3,(H,27,30)
InChIKeyQEPRRLBYRWAWEH-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.66
Rot. Bonds5

About 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide

4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 118148197) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID118148197
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC(C)(F)C(=O)N1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C24H27FN4O3/c1-24(2,25)23(31)28-12-8-17(9-13-28)19-7-11-26-21-20(19)10-14-29(21)15-16-3-5-18(6-4-16)22(30)27-32/h3-7,10-11,14,17,32H,8-9,12-13,15H2,1-2H3,(H,27,30)
InChIKeyQEPRRLBYRWAWEH-UHFFFAOYSA-N
XLogP3.66
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide 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

N-hydroxy-4-[[4-[1-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584706
4-[[4-(1-benzyl-2,6-dimethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 123598561
methyl 4-[[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate
CID 122584848
benzyl 2-[4-[1-[[4-(phenylmethoxycarbamoyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]acetate
CID 122584732
N-butoxy-4-[(4-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methyl]benzamide
CID 118148391
methyl 4-[[4-[4-[[4-(2-oxoethyl)phenyl]methyl]cyclohexyl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate
CID 129128707
N-hydroxy-4-[[5-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
CID 122584619
N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
CID 118437647
4-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 122584735
4-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methyl]benzoic acid
CID 118140132
4-[[4-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 123908746
4-[[5-(1-ethylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide
CID 122600515

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide (CID 118148197) is 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide is CC(C)(F)C(=O)N1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1.
What is the InChIKey of 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is QEPRRLBYRWAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-24(2,25)23(31)28-12-8-17(9-13-28)19-7-11-26-21-20(19)10-14-29(21)15-16-3-5-18(6-4-16)22(30)27-32/h3-7,10-11,14,17,32H,8-9,12-13,15H2,1-2H3,(H,27,30).
What are the key properties of 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide?
4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 438.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(2-fluoro-2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 118148197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).