1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide

C22H26FN5O2 — CID 15957047

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN1CCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)N(C)O)cc23)CC1
InChIInChI=1S/C22H26FN5O2/c1-25-7-9-27(10-8-25)14-17-15-28(13-16-3-5-18(23)6-4-16)21-12-24-20(11-19(17)21)22(29)26(2)30/h3-6,11-12,15,30H,7-10,13-14H2,1-2H3
InChIKeyYUPZNRBJZQXNNA-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.43
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 15957047) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID15957047
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCN1CCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)N(C)O)cc23)CC1
InChIInChI=1S/C22H26FN5O2/c1-25-7-9-27(10-8-25)14-17-15-28(13-16-3-5-18(23)6-4-16)21-12-24-20(11-19(17)21)22(29)26(2)30/h3-6,11-12,15,30H,7-10,13-14H2,1-2H3
InChIKeyYUPZNRBJZQXNNA-UHFFFAOYSA-N
XLogP2.43
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide (CID 15957047) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is CN1CCN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)N(C)O)cc23)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is YUPZNRBJZQXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-25-7-9-27(10-8-25)14-17-15-28(13-16-3-5-18(23)6-4-16)21-12-24-20(11-19(17)21)22(29)26(2)30/h3-6,11-12,15,30H,7-10,13-14H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 15957047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).