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

C24H27FN4O3 — CID 10138029

IUPAC(3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CC[C@H](N2CCOCC2)C1
InChIInChI=1S/C24H27FN4O3/c1-14-21(12-19-18-11-16(25)3-4-20(18)27-23(19)30)26-15(2)22(14)24(31)29-6-5-17(13-29)28-7-9-32-10-8-28/h3-4,11-12,17,26H,5-10,13H2,1-2H3,(H,27,30)/b19-12-/t17-/m0/s1
InChIKeyGHELQXGZNLCKOK-LSPINASFSA-N
MW438.50 g/mol
LogP2.81
Rot. Bonds3

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

(3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 10138029) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
PubChem CID10138029
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name(3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N1CC[C@H](N2CCOCC2)C1
InChIInChI=1S/C24H27FN4O3/c1-14-21(12-19-18-11-16(25)3-4-20(18)27-23(19)30)26-15(2)22(14)24(31)29-6-5-17(13-29)28-7-9-32-10-8-28/h3-4,11-12,17,26H,5-10,13H2,1-2H3,(H,27,30)/b19-12-/t17-/m0/s1
InChIKeyGHELQXGZNLCKOK-LSPINASFSA-N
XLogP2.81
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one with MolForge

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CID 5329109

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (CID 10138029) is (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-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-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-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)N1CC[C@H](N2CCOCC2)C1.
What is the InChIKey of (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is GHELQXGZNLCKOK-LSPINASFSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-14-21(12-19-18-11-16(25)3-4-20(18)27-23(19)30)26-15(2)22(14)24(31)29-6-5-17(13-29)28-7-9-32-10-8-28/h3-4,11-12,17,26H,5-10,13H2,1-2H3,(H,27,30)/b19-12-/t17-/m0/s1.
What are the key properties of (3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[[3,5-dimethyl-4-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 438.50 g/mol, XLogP of 2.81, 3 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-[(3S)-3-morpholin-4-ylpyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 10138029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).