(3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide

C33H36FN5O3 — CID 144790299

About (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide

(3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide (PubChem CID 144790299) has the molecular formula C33H36FN5O3 and a molecular weight of 569.68 g/mol. Its IUPAC name is (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide.

Molecular Properties

• Compound Name: (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide
• PubChem CID: 144790299
• Molecular Formula: C33H36FN5O3
• Molecular Weight: 569.68 g/mol
• Exact Mass: 569.28
• IUPAC Name: (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide
• SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1
• InChI: InChI=1S/C33H36FN5O3/c1-20-29(36-21(2)30(20)33(42)39-15-5-6-25(39)19-38-13-3-4-14-38)17-27-26-16-23(9-12-28(26)37-32(27)41)31(40)35-18-22-7-10-24(34)11-8-22/h7-12,16-17,25,36H,3-6,13-15,18-19H2,1-2H3,(H,35,40)(H,37,41)/b27-17-/t25-/m1/s1
• InChIKey: QYBKBWQKUFXKFP-GKZBKZLQSA-N
• XLogP: 4.89
• TPSA: 97.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.68
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide?

The IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide (CID 144790299) is (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide.

What is the SMILES notation for (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide?

The canonical SMILES for (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NCc4ccc(F)cc4)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1.

What is the InChIKey of (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide?

The InChIKey is QYBKBWQKUFXKFP-GKZBKZLQSA-N. The full InChI is InChI=1S/C33H36FN5O3/c1-20-29(36-21(2)30(20)33(42)39-15-5-6-25(39)19-38-13-3-4-14-38)17-27-26-16-23(9-12-28(26)37-32(27)41)31(40)35-18-22-7-10-24(34)11-8-22/h7-12,16-17,25,36H,3-6,13-15,18-19H2,1-2H3,(H,35,40)(H,37,41)/b27-17-/t25-/m1/s1.

What are the key properties of (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide?

(3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide has a molecular weight of 569.68 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-carboxamide is sourced from PubChem (CID 144790299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).