5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide

C23H27FN4O3 — CID 59918306

IUPAC5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)NC3=CCC(F)C=C32)c(C)c1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C23H27FN4O3/c1-13-19(12-17-16-11-15(24)6-7-18(16)27-22(17)30)26-14(2)21(13)23(31)25-8-4-10-28-9-3-5-20(28)29/h7,11-12,15,26H,3-6,8-10H2,1-2H3,(H,25,31)(H,27,30)/b17-12-
InChIKeyGBUURKIYSLIUGU-ATVHPVEESA-N
MW426.49 g/mol
LogP2.44
Rot. Bonds6

About 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide

5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 59918306) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
PubChem CID59918306
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)NC3=CCC(F)C=C32)c(C)c1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C23H27FN4O3/c1-13-19(12-17-16-11-15(24)6-7-18(16)27-22(17)30)26-14(2)21(13)23(31)25-8-4-10-28-9-3-5-20(28)29/h7,11-12,15,26H,3-6,8-10H2,1-2H3,(H,25,31)(H,27,30)/b17-12-
InChIKeyGBUURKIYSLIUGU-ATVHPVEESA-N
XLogP2.44
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

5-[(5-chloro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 72595714
5-[[4-(2-cyanoethylidene)-5-ethylidene-2-oxopyrrolidin-3-ylidene]methyl]-2,4-dimethyl-N-[3-(2-oxoazepan-1-yl)propyl]-1H-pyrrole-3-carboxamide
CID 72595713
4-acetyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 17424328
N-[2-[di(propan-2-yl)amino]ethyl]-5-[[5-[(2-fluorophenyl)methylsulfonyl]-2-oxo-5,6-dihydro-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 72509785
3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methylprop-2-enylsulfonyl)-5,6-dihydro-1H-indol-2-one
CID 72509811
2-[[5-[(Z)-[5-[(4-carboxy-6-nitrocyclohexa-1,3-dien-1-yl)methylsulfonyl]-2-oxo-5,6-dihydro-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethyl-diethylazanium
CID 59078887
3-[[3,5-dimethyl-4-(2-pyrrolidin-1-ylethylcarbamoyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 123450026
N-[3-(2-hydroxy-1,3-diazinan-1-yl)propyl]-2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 149170463
2-[[5-[(2-fluorophenyl)methylsulfonyl]-2-oxo-5,6-dihydro-1H-indol-3-ylidene]methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 72509801
2,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5-[(Z)-(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 53379008
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide (CID 59918306) is 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)NC3=CCC(F)C=C32)c(C)c1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GBUURKIYSLIUGU-ATVHPVEESA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-13-19(12-17-16-11-15(24)6-7-18(16)27-22(17)30)26-14(2)21(13)23(31)25-8-4-10-28-9-3-5-20(28)29/h7,11-12,15,26H,3-6,8-10H2,1-2H3,(H,25,31)(H,27,30)/b17-12-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-fluoro-2-oxo-5,6-dihydro-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59918306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).