(3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one

C23H26FN3O2 — CID 153018226

IUPAC(3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1CC(=O)CC1CCNCC1
InChIInChI=1S/C23H26FN3O2/c1-13-18(11-17(28)9-15-5-7-25-8-6-15)14(2)26-22(13)12-20-19-10-16(24)3-4-21(19)27-23(20)29/h3-4,10,12,15,25-26H,5-9,11H2,1-2H3,(H,27,29)/b20-12-
InChIKeyVBKGLLQGONJGKB-NDENLUEZSA-N
MW395.48 g/mol
LogP3.76
Rot. Bonds5

About (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 153018226) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
PubChem CID153018226
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name(3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1CC(=O)CC1CCNCC1
InChIInChI=1S/C23H26FN3O2/c1-13-18(11-17(28)9-15-5-7-25-8-6-15)14(2)26-22(13)12-20-19-10-16(24)3-4-21(19)27-23(20)29/h3-4,10,12,15,25-26H,5-9,11H2,1-2H3,(H,27,29)/b20-12-
InChIKeyVBKGLLQGONJGKB-NDENLUEZSA-N
XLogP3.76
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one with MolForge

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Related Compounds

2-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 165060779
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
CID 72533203
(3Z)-3-[[4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one;hydrochloride
CID 165088677
(3Z)-3-[[3,5-dimethyl-4-(2-oxo-4-pyrrolidin-1-ylbutyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 152926189
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide
CID 44545525
(3Z)-3-[[3,5-dimethyl-4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 10181494
[8-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]methylamino]octanoylamino] acetate
CID 24999521
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 59215968
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(1-hydroxyethyl)-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
CID 59069520
N-(3-amino-3-oxopropyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 71035266
2-(dimethylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]acetamide
CID 54759973
(3Z)-3-[(3,5-dimethyl-4-nitro-1H-pyrrol-2-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 25058967

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one (CID 153018226) is (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1CC(=O)CC1CCNCC1.
What is the InChIKey of (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is VBKGLLQGONJGKB-NDENLUEZSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-13-18(11-17(28)9-15-5-7-25-8-6-15)14(2)26-22(13)12-20-19-10-16(24)3-4-21(19)27-23(20)29/h3-4,10,12,15,25-26H,5-9,11H2,1-2H3,(H,27,29)/b20-12-.
What are the key properties of (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 395.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3,5-dimethyl-4-(2-oxo-3-piperidin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 153018226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).