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

C24H27FN4O4 — CID 24877510

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C24H27FN4O4/c1-13(10-21(30)29-6-8-33-9-7-29)26-24(32)22-14(2)20(27-15(22)3)12-18-17-11-16(25)4-5-19(17)28-23(18)31/h4-5,11-13,27H,6-10H2,1-3H3,(H,26,32)(H,28,31)/b18-12-
InChIKeyLNWGPSWSNWXQFB-PDGQHHTCSA-N
MW454.50 g/mol
LogP2.63
Rot. Bonds5

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

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 24877510) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID24877510
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C24H27FN4O4/c1-13(10-21(30)29-6-8-33-9-7-29)26-24(32)22-14(2)20(27-15(22)3)12-18-17-11-16(25)4-5-19(17)28-23(18)31/h4-5,11-13,27H,6-10H2,1-3H3,(H,26,32)(H,28,31)/b18-12-
InChIKeyLNWGPSWSNWXQFB-PDGQHHTCSA-N
XLogP2.63
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide (CID 24877510) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC(C)CC(=O)N1CCOCC1.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is LNWGPSWSNWXQFB-PDGQHHTCSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-13(10-21(30)29-6-8-33-9-7-29)26-24(32)22-14(2)20(27-15(22)3)12-18-17-11-16(25)4-5-19(17)28-23(18)31/h4-5,11-13,27H,6-10H2,1-3H3,(H,26,32)(H,28,31)/b18-12-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(4-morpholin-4-yl-4-oxobutan-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24877510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).