N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide

C27H32FN5O6 — CID 67532675

About N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide

N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide (PubChem CID 67532675) has the molecular formula C27H32FN5O6 and a molecular weight of 541.58 g/mol. Its IUPAC name is N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide
• PubChem CID: 67532675
• Molecular Formula: C27H32FN5O6
• Molecular Weight: 541.58 g/mol
• Exact Mass: 541.23
• IUPAC Name: N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide
• SMILES: COCC(=O)Nc1cc2c(cc1F)C(=Cc1[nH]c3c(c1C)C(=O)N(CC(O)CN1CCOCC1)CC3)C(=O)N2
• InChI: InChI=1S/C27H32FN5O6/c1-15-21(10-18-17-9-19(28)23(30-24(35)14-38-2)11-22(17)31-26(18)36)29-20-3-4-33(27(37)25(15)20)13-16(34)12-32-5-7-39-8-6-32/h9-11,16,29,34H,3-8,12-14H2,1-2H3,(H,30,35)(H,31,36)
• InChIKey: FHDKNINRJQXWQS-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 136.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.58
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

The IUPAC name of N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide (CID 67532675) is N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide.

What is the SMILES notation for N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

The canonical SMILES for N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide is COCC(=O)Nc1cc2c(cc1F)C(=Cc1[nH]c3c(c1C)C(=O)N(CC(O)CN1CCOCC1)CC3)C(=O)N2.

What is the InChIKey of N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

The InChIKey is FHDKNINRJQXWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O6/c1-15-21(10-18-17-9-19(28)23(30-24(35)14-38-2)11-22(17)31-26(18)36)29-20-3-4-33(27(37)25(15)20)13-16(34)12-32-5-7-39-8-6-32/h9-11,16,29,34H,3-8,12-14H2,1-2H3,(H,30,35)(H,31,36).

What are the key properties of N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide has a molecular weight of 541.58 g/mol, XLogP of 1.23, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-3-[[5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 67532675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).