(3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde

C25H24FN3O3 — CID 142153429

IUPAC(3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde
SMILESCc1cc[nH]c1/C=C1\C(=O)Nc2cccc(-c3ccccc3F)c21.O=CN1CC[C@@H](O)C1
InChIInChI=1S/C20H15FN2O.C5H9NO2/c1-12-9-10-22-18(12)11-15-19-14(13-5-2-3-7-16(13)21)6-4-8-17(19)23-20(15)24;7-4-6-2-1-5(8)3-6/h2-11,22H,1H3,(H,23,24);4-5,8H,1-3H2/b15-11-;/t;5-/m.1/s1
InChIKeyMOZVJUKMUAEKCC-YAJTVQMKSA-N
MW433.48 g/mol
LogP3.83
Rot. Bonds3

About (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde

(3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde (PubChem CID 142153429) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name(3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde
PubChem CID142153429
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name(3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde
SMILESCc1cc[nH]c1/C=C1\C(=O)Nc2cccc(-c3ccccc3F)c21.O=CN1CC[C@@H](O)C1
InChIInChI=1S/C20H15FN2O.C5H9NO2/c1-12-9-10-22-18(12)11-15-19-14(13-5-2-3-7-16(13)21)6-4-8-17(19)23-20(15)24;7-4-6-2-1-5(8)3-6/h2-11,22H,1H3,(H,23,24);4-5,8H,1-3H2/b15-11-;/t;5-/m.1/s1
InChIKeyMOZVJUKMUAEKCC-YAJTVQMKSA-N
XLogP3.83
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 72637793
4-(2,3-difluorophenyl)-3-[[3-[(2R)-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopentanecarbonyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 91571654
3-[[4-[2-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-2-oxoethyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one
CID 91245599
3-[[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one
CID 72637782
3-[[3,5-dimethyl-4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one
CID 72637754
4-(2,3-difluorophenyl)-3-[[3,5-dimethyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 72637705
5-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-N-[2-(tetrazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 72615520
5-fluoro-4-[3-[(3S)-3-hydroxypyrrolidin-1-yl]prop-1-ynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 54493693
ethanol;N-ethylacetamide;3-[(3Z)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 142153237
(3Z)-3-[[3-[3-(dimethylamino)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-4-(3-fluorophenyl)-1H-indol-2-one
CID 10226359
4-fluoro-3-[(N-(3-fluoropyrrolidin-1-yl)anilino)methylidene]-1H-indol-2-one
CID 91567295
1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol
CID 54082459

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde?
The IUPAC name of (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde (CID 142153429) is (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde.
What is the SMILES notation for (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde?
The canonical SMILES for (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde is Cc1cc[nH]c1/C=C1\C(=O)Nc2cccc(-c3ccccc3F)c21.O=CN1CC[C@@H](O)C1.
What is the InChIKey of (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde?
The InChIKey is MOZVJUKMUAEKCC-YAJTVQMKSA-N. The full InChI is InChI=1S/C20H15FN2O.C5H9NO2/c1-12-9-10-22-18(12)11-15-19-14(13-5-2-3-7-16(13)21)6-4-8-17(19)23-20(15)24;7-4-6-2-1-5(8)3-6/h2-11,22H,1H3,(H,23,24);4-5,8H,1-3H2/b15-11-;/t;5-/m.1/s1.
What are the key properties of (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde?
(3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde has a molecular weight of 433.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(2-fluorophenyl)-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3R)-3-hydroxypyrrolidine-1-carbaldehyde is sourced from PubChem (CID 142153429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).