(3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one

C25H29FN4O3 — CID 10297767

About (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 10297767) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

• Compound Name: (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
• PubChem CID: 10297767
• Molecular Formula: C25H29FN4O3
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.22
• IUPAC Name: (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
• SMILES: Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCOCC1
• InChI: InChI=1S/C25H29FN4O3/c1-15-22(13-20-19-12-17(26)5-6-21(19)28-24(20)31)27-16(2)23(15)25(32)30-7-3-4-18(30)14-29-8-10-33-11-9-29/h5-6,12-13,18,27H,3-4,7-11,14H2,1-2H3,(H,28,31)/b20-13-/t18-/m1/s1
• InChIKey: VGDJWLUKAMKNAK-RXWSAZGZSA-N
• XLogP: 3.20
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
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-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?

The IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (CID 10297767) is (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one.

What is the SMILES notation for (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?

The canonical SMILES for (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCOCC1.

What is the InChIKey of (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?

The InChIKey is VGDJWLUKAMKNAK-RXWSAZGZSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-15-22(13-20-19-12-17(26)5-6-21(19)28-24(20)31)27-16(2)23(15)25(32)30-7-3-4-18(30)14-29-8-10-33-11-9-29/h5-6,12-13,18,27H,3-4,7-11,14H2,1-2H3,(H,28,31)/b20-13-/t18-/m1/s1.

What are the key properties of (3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?

(3Z)-3-[[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 452.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 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-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 10297767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).