N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide

C28H34FN5O6 — CID 25205218

About N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide

N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide (PubChem CID 25205218) has the molecular formula C28H34FN5O6 and a molecular weight of 555.61 g/mol. Its IUPAC name is N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide
• PubChem CID: 25205218
• Molecular Formula: C28H34FN5O6
• Molecular Weight: 555.61 g/mol
• Exact Mass: 555.25
• IUPAC Name: N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide
• SMILES: Cc1c(/C=C2\C(=O)Nc3cc(NC(=O)C(C)(C)O)c(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2
• InChI: InChI=1S/C28H34FN5O6/c1-15-21(11-18-17-10-19(29)23(12-22(17)31-25(18)36)32-27(38)28(2,3)39)30-20-4-5-34(26(37)24(15)20)14-16(35)13-33-6-8-40-9-7-33/h10-12,16,30,35,39H,4-9,13-14H2,1-3H3,(H,31,36)(H,32,38)/b18-11-/t16-/m1/s1
• InChIKey: IQVGCJANYUYODP-CJMVGXJBSA-N
• XLogP: 1.36
• TPSA: 147.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.61
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	5
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-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide?

The IUPAC name of N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide (CID 25205218) is N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide.

What is the SMILES notation for N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide?

The canonical SMILES for N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide is Cc1c(/C=C2\C(=O)Nc3cc(NC(=O)C(C)(C)O)c(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.

What is the InChIKey of N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide?

The InChIKey is IQVGCJANYUYODP-CJMVGXJBSA-N. The full InChI is InChI=1S/C28H34FN5O6/c1-15-21(11-18-17-10-19(29)23(12-22(17)31-25(18)36)32-27(38)28(2,3)39)30-20-4-5-34(26(37)24(15)20)14-16(35)13-33-6-8-40-9-7-33/h10-12,16,30,35,39H,4-9,13-14H2,1-3H3,(H,31,36)(H,32,38)/b18-11-/t16-/m1/s1.

What are the key properties of N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide?

N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide has a molecular weight of 555.61 g/mol, XLogP of 1.36, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-5-fluoro-3-[[5-[(2R)-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-hydroxy-2-methylpropanamide is sourced from PubChem (CID 25205218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).