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

C27H34FN5O6 — CID 143765886

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

N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide (PubChem CID 143765886) has the molecular formula C27H34FN5O6 and a molecular weight of 543.60 g/mol. Its IUPAC name is N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide
• PubChem CID: 143765886
• Molecular Formula: C27H34FN5O6
• Molecular Weight: 543.60 g/mol
• Exact Mass: 543.25
• IUPAC Name: N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide
• SMILES: COCC(=O)Nc1cc2c(cc1F)/C(=C/c1[nH]c3c(c1C)C(O)N(CC(O)CN1CCOCC1)CC3)C(=O)N2
• InChI: InChI=1S/C27H34FN5O6/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/h9-11,16,27,29,34,37H,3-8,12-14H2,1-2H3,(H,30,35)(H,31,36)/b18-10-
• InChIKey: BGGUKLNKBMKKCH-ZDLGFXPLSA-N
• XLogP: 1.08
• TPSA: 139.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.60
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide (CID 143765886) is N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide.

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

The canonical SMILES for N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide is COCC(=O)Nc1cc2c(cc1F)/C(=C/c1[nH]c3c(c1C)C(O)N(CC(O)CN1CCOCC1)CC3)C(=O)N2.

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

The InChIKey is BGGUKLNKBMKKCH-ZDLGFXPLSA-N. The full InChI is InChI=1S/C27H34FN5O6/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/h9-11,16,27,29,34,37H,3-8,12-14H2,1-2H3,(H,30,35)(H,31,36)/b18-10-.

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

N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide has a molecular weight of 543.60 g/mol, XLogP of 1.08, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-5-fluoro-3-[[4-hydroxy-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 143765886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).