5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide

C21H23FN4O2 — CID 72533203

IUPAC5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC1CCNCC1
InChIInChI=1S/C21H23FN4O2/c1-11-18(10-16-15-9-13(22)3-4-17(15)26-20(16)27)24-12(2)19(11)21(28)25-14-5-7-23-8-6-14/h3-4,9-10,14,23-24H,5-8H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWCXHNGRPBSAVIK-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.75
Rot. Bonds3

About 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide

5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 72533203) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID72533203
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC1CCNCC1
InChIInChI=1S/C21H23FN4O2/c1-11-18(10-16-15-9-13(22)3-4-17(15)26-20(16)27)24-12(2)19(11)21(28)25-14-5-7-23-8-6-14/h3-4,9-10,14,23-24H,5-8H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWCXHNGRPBSAVIK-UHFFFAOYSA-N
XLogP2.75
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
methyl (3S)-3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 58432560
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
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]-1H-pyrrole-3-carboxamide
CID 59215923
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3S)-1-(trideuterio(113C)methylcarbamoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 169439545
(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
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 90777869
N-[(4S,6S,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 123305255
N-[(3aS,6S)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 143644909
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
2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride
CID 127036535
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;ethane
CID 143583029

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide (CID 72533203) is 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide is Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC1CCNCC1.
What is the InChIKey of 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is WCXHNGRPBSAVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-11-18(10-16-15-9-13(22)3-4-17(15)26-20(16)27)24-12(2)19(11)21(28)25-14-5-7-23-8-6-14/h3-4,9-10,14,23-24H,5-8H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide?
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 72533203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).