1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride

C42H47ClF2N10O7 — CID 161303867

About 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride (PubChem CID 161303867) has the molecular formula C42H47ClF2N10O7 and a molecular weight of 877.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride
• PubChem CID: 161303867
• Molecular Formula: C42H47ClF2N10O7
• Molecular Weight: 877.35 g/mol
• Exact Mass: 876.33
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride
• SMILES: CN(O)C(=O)c1cc2c(CN3CCNC(=O)C3)cn(Cc3ccc(F)cc3)c2cn1.CNO.Cl.O=C1CN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)O)cc23)CCN1
• InChI: InChI=1S/C21H22FN5O3.C20H19FN4O3.CH5NO.ClH/c1-25(30)21(29)18-8-17-15(11-26-7-6-23-20(28)13-26)12-27(19(17)9-24-18)10-14-2-4-16(22)5-3-14;21-15-3-1-13(2-4-15)9-25-11-14(10-24-6-5-22-19(26)12-24)16-7-17(20(27)28)23-8-18(16)25;1-2-3;/h2-5,8-9,12,30H,6-7,10-11,13H2,1H3,(H,23,28);1-4,7-8,11H,5-6,9-10,12H2,(H,22,26)(H,27,28);2-3H,1H3;1H
• InChIKey: DSEYXOWRZFUNNK-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 210.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.35
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride (CID 161303867) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride.

What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride is CN(O)C(=O)c1cc2c(CN3CCNC(=O)C3)cn(Cc3ccc(F)cc3)c2cn1.CNO.Cl.O=C1CN(Cc2cn(Cc3ccc(F)cc3)c3cnc(C(=O)O)cc23)CCN1.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

The InChIKey is DSEYXOWRZFUNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3.C20H19FN4O3.CH5NO.ClH/c1-25(30)21(29)18-8-17-15(11-26-7-6-23-20(28)13-26)12-27(19(17)9-24-18)10-14-2-4-16(22)5-3-14;21-15-3-1-13(2-4-15)9-25-11-14(10-24-6-5-22-19(26)12-24)16-7-17(20(27)28)23-8-18(16)25;1-2-3;/h2-5,8-9,12,30H,6-7,10-11,13H2,1H3,(H,23,28);1-4,7-8,11H,5-6,9-10,12H2,(H,22,26)(H,27,28);2-3H,1H3;1H.

What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride?

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride has a molecular weight of 877.35 g/mol, XLogP of 3.49, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide;1-[(4-fluorophenyl)methyl]-3-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid;N-methylhydroxylamine;hydrochloride is sourced from PubChem (CID 161303867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).