5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide

C25H26FN3O5 — CID 163424841

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 163424841) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
• PubChem CID: 163424841
• Molecular Formula: C25H26FN3O5
• Molecular Weight: 467.50 g/mol
• Exact Mass: 467.19
• IUPAC Name: 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
• SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H]1CO[C@@H](CC2CCOC2)C1=O
• InChI: InChI=1S/C25H26FN3O5/c1-12-19(9-17-16-8-15(26)3-4-18(16)28-24(17)31)27-13(2)22(12)25(32)29-20-11-34-21(23(20)30)7-14-5-6-33-10-14/h3-4,8-9,14,20-21,27H,5-7,10-11H2,1-2H3,(H,28,31)(H,29,32)/b17-9-/t14?,20-,21+/m1/s1
• InChIKey: ALOZLYNGQPBCAN-TZTIDQOMSA-N
• XLogP: 2.76
• TPSA: 109.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.50
LogP ≤ 5	2.76
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 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide (CID 163424841) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H]1CO[C@@H](CC2CCOC2)C1=O.

What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?

The InChIKey is ALOZLYNGQPBCAN-TZTIDQOMSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-12-19(9-17-16-8-15(26)3-4-18(16)28-24(17)31)27-13(2)22(12)25(32)29-20-11-34-21(23(20)30)7-14-5-6-33-10-14/h3-4,8-9,14,20-21,27H,5-7,10-11H2,1-2H3,(H,28,31)(H,29,32)/b17-9-/t14?,20-,21+/m1/s1.

What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide?

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 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-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 163424841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).