1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide

C24H22F2N4O3 — CID 11690985

IUPAC1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2c(CNCC(O)c3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C24H22F2N4O3/c25-18-7-6-16(20(26)8-18)13-30-14-17(10-27-12-23(31)15-4-2-1-3-5-15)19-9-21(24(32)29-33)28-11-22(19)30/h1-9,11,14,23,27,31,33H,10,12-13H2,(H,29,32)
InChIKeyYCRPESOHKWUZEV-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.31
Rot. Bonds8

About 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11690985) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11690985
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2c(CNCC(O)c3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C24H22F2N4O3/c25-18-7-6-16(20(26)8-18)13-30-14-17(10-27-12-23(31)15-4-2-1-3-5-15)19-9-21(24(32)29-33)28-11-22(19)30/h1-9,11,14,23,27,31,33H,10,12-13H2,(H,29,32)
InChIKeyYCRPESOHKWUZEV-UHFFFAOYSA-N
XLogP3.31
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.31
H-Bond Donors ≤ 54
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'}

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(1-hydroxypropan-2-ylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 15957057
1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 59855848
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 10316516
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-methoxy-3-pyridinyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11704823
3-[[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11568081
3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 11704907
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[2-(2-hydroxyethoxy)ethylamino]methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 11575362
1-[(2,4-difluorophenyl)methyl]-N-methoxy-3-(methylaminomethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
CID 86623139
(1R)-2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylamino]-1-phenylethanol
CID 124785545
1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylic acid;methyl 1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxylate
CID 161165591
1-[1-[(2,4-difluorophenyl)methyl]-3-(2-methoxyethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]ethenol
CID 143126134
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (CID 11690985) is 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is O=C(NO)c1cc2c(CNCC(O)c3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is YCRPESOHKWUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c25-18-7-6-16(20(26)8-18)13-30-14-17(10-27-12-23(31)15-4-2-1-3-5-15)19-9-21(24(32)29-33)28-11-22(19)30/h1-9,11,14,23,27,31,33H,10,12-13H2,(H,29,32).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11690985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).