(2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide

C26H32FN5O4 — CID 58544041

About (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide

(2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide (PubChem CID 58544041) has the molecular formula C26H32FN5O4 and a molecular weight of 497.57 g/mol. Its IUPAC name is (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide
• PubChem CID: 58544041
• Molecular Formula: C26H32FN5O4
• Molecular Weight: 497.57 g/mol
• Exact Mass: 497.24
• IUPAC Name: (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide
• SMILES: CCN(CC)CCN1CCc2[nH]c(/C=C3\C(=O)Nc4cc(NC(=O)[C@H](C)O)c(F)cc43)c(C)c2C1=O
• InChI: InChI=1S/C26H32FN5O4/c1-5-31(6-2)9-10-32-8-7-19-23(26(32)36)14(3)20(28-19)12-17-16-11-18(27)22(30-24(34)15(4)33)13-21(16)29-25(17)35/h11-13,15,28,33H,5-10H2,1-4H3,(H,29,35)(H,30,34)/b17-12-/t15-/m0/s1
• InChIKey: JRIXWVXFPBEXSS-ZKMNFCBKSA-N
• XLogP: 2.61
• TPSA: 117.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.57
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide?

The IUPAC name of (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide (CID 58544041) is (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide.

What is the SMILES notation for (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide?

The canonical SMILES for (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide is CCN(CC)CCN1CCc2[nH]c(/C=C3\C(=O)Nc4cc(NC(=O)[C@H](C)O)c(F)cc43)c(C)c2C1=O.

What is the InChIKey of (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide?

The InChIKey is JRIXWVXFPBEXSS-ZKMNFCBKSA-N. The full InChI is InChI=1S/C26H32FN5O4/c1-5-31(6-2)9-10-32-8-7-19-23(26(32)36)14(3)20(28-19)12-17-16-11-18(27)22(30-24(34)15(4)33)13-21(16)29-25(17)35/h11-13,15,28,33H,5-10H2,1-4H3,(H,29,35)(H,30,34)/b17-12-/t15-/m0/s1.

What are the key properties of (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide?

(2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide has a molecular weight of 497.57 g/mol, XLogP of 2.61, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(3Z)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-hydroxypropanamide is sourced from PubChem (CID 58544041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).