5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide

C24H33FN4O4 — CID 143645303

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide (PubChem CID 143645303) has the molecular formula C24H33FN4O4 and a molecular weight of 460.55 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide.

Molecular Properties

• Compound Name: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide
• PubChem CID: 143645303
• Molecular Formula: C24H33FN4O4
• Molecular Weight: 460.55 g/mol
• Exact Mass: 460.25
• IUPAC Name: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide
• SMILES: CNC=O.CNCCCCCO.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C=O
• InChI: InChI=1S/C16H13FN2O2.C6H15NO.C2H5NO/c1-8-13(7-20)9(2)18-15(8)6-12-11-5-10(17)3-4-14(11)19-16(12)21;1-7-5-3-2-4-6-8;1-3-2-4/h3-7,18H,1-2H3,(H,19,21);7-8H,2-6H2,1H3;2H,1H3,(H,3,4)/b12-6-
• InChIKey: QDAJESONWNTTBP-AXAVVADUSA-N
• XLogP: 2.81
• TPSA: 123.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.55
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide?

The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide (CID 143645303) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide.

What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide?

The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide is CNC=O.CNCCCCCO.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C=O.

What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide?

The InChIKey is QDAJESONWNTTBP-AXAVVADUSA-N. The full InChI is InChI=1S/C16H13FN2O2.C6H15NO.C2H5NO/c1-8-13(7-20)9(2)18-15(8)6-12-11-5-10(17)3-4-14(11)19-16(12)21;1-7-5-3-2-4-6-8;1-3-2-4/h3-7,18H,1-2H3,(H,19,21);7-8H,2-6H2,1H3;2H,1H3,(H,3,4)/b12-6-;;.

What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide?

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide has a molecular weight of 460.55 g/mol, XLogP of 2.81, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbaldehyde;5-(methylamino)pentan-1-ol;N-methylformamide is sourced from PubChem (CID 143645303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).