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

C23H27FN4O2 — CID 165060779

IUPAC2-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-methyl-N-piperidin-4-ylacetamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1CC(=O)N(C)C1CCNCC1
InChIInChI=1S/C23H27FN4O2/c1-13-17(12-22(29)28(3)16-6-8-25-9-7-16)14(2)26-21(13)11-19-18-10-15(24)4-5-20(18)27-23(19)30/h4-5,10-11,16,25-26H,6-9,12H2,1-3H3,(H,27,30)/b19-11-
InChIKeyRDVUXQWBQRILJC-ODLFYWEKSA-N
MW410.49 g/mol
LogP3.02
Rot. Bonds4

About 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

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 (PubChem CID 165060779) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-methyl-N-piperidin-4-ylacetamide
PubChem CID165060779
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name2-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-N-methyl-N-piperidin-4-ylacetamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1CC(=O)N(C)C1CCNCC1
InChIInChI=1S/C23H27FN4O2/c1-13-17(12-22(29)28(3)16-6-8-25-9-7-16)14(2)26-21(13)11-19-18-10-15(24)4-5-20(18)27-23(19)30/h4-5,10-11,16,25-26H,6-9,12H2,1-3H3,(H,27,30)/b19-11-
InChIKeyRDVUXQWBQRILJC-ODLFYWEKSA-N
XLogP3.02
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(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
(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
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-[[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
2-(dimethylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]acetamide
CID 54759973
(2S)-5-(dimethylamino)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]methoxyamino]-5-oxopentanoic acid
CID 89200892
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(1-hydroxyethyl)-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
CID 59069520
[8-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]methylamino]octanoylamino] acetate
CID 24999521
(3Z)-5-fluoro-3-[[4-[[[4-(4-hydroxypiperidin-1-yl)-2-methoxy-4-oxobutyl]amino]oxymethyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 89125728
2-[2,4-dimethyl-5-[(Z)-(2-oxo-4-piperidin-4-yl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]acetic acid
CID 59101445
N-[(2R,3R)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 90932311

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1CC(=O)N(C)C1CCNCC1.
What is the InChIKey of 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?
The InChIKey is RDVUXQWBQRILJC-ODLFYWEKSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-13-17(12-22(29)28(3)16-6-8-25-9-7-16)14(2)26-21(13)11-19-18-10-15(24)4-5-20(18)27-23(19)30/h4-5,10-11,16,25-26H,6-9,12H2,1-3H3,(H,27,30)/b19-11-.
What are the key properties of 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?
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 has a molecular weight of 410.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165060779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).