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

C25H28FN5O4 — CID 66607866

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

N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide (PubChem CID 66607866) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide
• PubChem CID: 66607866
• Molecular Formula: C25H28FN5O4
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.21
• IUPAC Name: N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide
• SMILES: CC(=O)Nc1cc2c(cc1F)/C(=C\c1[nH]c3c(c1C)C(=O)N(CCN1CCOCC1)CC3)C(=O)N2
• InChI: InChI=1S/C25H28FN5O4/c1-14-20(12-17-16-11-18(26)22(27-15(2)32)13-21(16)29-24(17)33)28-19-3-4-31(25(34)23(14)19)6-5-30-7-9-35-10-8-30/h11-13,28H,3-10H2,1-2H3,(H,27,32)(H,29,33)/b17-12+
• InChIKey: QNRUFHFWXLOFAW-SFQUDFHCSA-N
• XLogP: 2.24
• TPSA: 106.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
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 N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide?

The IUPAC name of N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide (CID 66607866) is N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide.

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

The canonical SMILES for N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide is CC(=O)Nc1cc2c(cc1F)/C(=C\c1[nH]c3c(c1C)C(=O)N(CCN1CCOCC1)CC3)C(=O)N2.

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

The InChIKey is QNRUFHFWXLOFAW-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-14-20(12-17-16-11-18(26)22(27-15(2)32)13-21(16)29-24(17)33)28-19-3-4-31(25(34)23(14)19)6-5-30-7-9-35-10-8-30/h11-13,28H,3-10H2,1-2H3,(H,27,32)(H,29,33)/b17-12+.

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

N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide has a molecular weight of 481.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3E)-5-fluoro-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]acetamide is sourced from PubChem (CID 66607866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).