3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

C22H23F2N5O3 — CID 11704907

IUPAC3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCC(=O)N1CCN(Cc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)CC1
InChIInChI=1S/C22H23F2N5O3/c1-14(30)28-6-4-27(5-7-28)11-16-13-29(12-15-2-3-17(23)8-19(15)24)21-10-25-20(9-18(16)21)22(31)26-32/h2-3,8-10,13,32H,4-7,11-12H2,1H3,(H,26,31)
InChIKeyDMXHWYHNYFZNDV-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.15
Rot. Bonds5

About 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11704907) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11704907
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCC(=O)N1CCN(Cc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)CC1
InChIInChI=1S/C22H23F2N5O3/c1-14(30)28-6-4-27(5-7-28)11-16-13-29(12-15-2-3-17(23)8-19(15)24)21-10-25-20(9-18(16)21)22(31)26-32/h2-3,8-10,13,32H,4-7,11-12H2,1H3,(H,26,31)
InChIKeyDMXHWYHNYFZNDV-UHFFFAOYSA-N
XLogP2.15
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 11704907) is 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is CC(=O)N1CCN(Cc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)CC1.
What is the InChIKey of 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is DMXHWYHNYFZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-14(30)28-6-4-27(5-7-28)11-16-13-29(12-15-2-3-17(23)8-19(15)24)21-10-25-20(9-18(16)21)22(31)26-32/h2-3,8-10,13,32H,4-7,11-12H2,1H3,(H,26,31).
What are the key properties of 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylpiperazin-1-yl)methyl]-1-[(2,4-difluorophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11704907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).