N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

C24H24F3N5O6 — CID 91586749

About N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 91586749) has the molecular formula C24H24F3N5O6 and a molecular weight of 535.48 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 91586749
• Molecular Formula: C24H24F3N5O6
• Molecular Weight: 535.48 g/mol
• Exact Mass: 535.17
• IUPAC Name: N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• SMILES: Cc1[nH]c(C=C2C(=O)Nc3ccc(OC(F)(F)F)cc32)c(C)c1C(=O)NC[C@H](O)Cn1c(O)cn(C)c1=O
• InChI: InChI=1S/C24H24F3N5O6/c1-11-18(7-16-15-6-14(38-24(25,26)27)4-5-17(15)30-21(16)35)29-12(2)20(11)22(36)28-8-13(33)9-32-19(34)10-31(3)23(32)37/h4-7,10,13,29,33-34H,8-9H2,1-3H3,(H,28,36)(H,30,35)/t13-/m0/s1
• InChIKey: VZMJISZUBVKIHP-ZDUSSCGKSA-N
• XLogP: 2.02
• TPSA: 150.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.48
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 91586749) is N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(C=C2C(=O)Nc3ccc(OC(F)(F)F)cc32)c(C)c1C(=O)NC[C@H](O)Cn1c(O)cn(C)c1=O.

What is the InChIKey of N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The InChIKey is VZMJISZUBVKIHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H24F3N5O6/c1-11-18(7-16-15-6-14(38-24(25,26)27)4-5-17(15)30-21(16)35)29-12(2)20(11)22(36)28-8-13(33)9-32-19(34)10-31(3)23(32)37/h4-7,10,13,29,33-34H,8-9H2,1-3H3,(H,28,36)(H,30,35)/t13-/m0/s1.

What are the key properties of N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 535.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-hydroxy-3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)propyl]-2,4-dimethyl-5-[[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91586749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).