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

C24H27FN4O4 — CID 24877396

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C24H27FN4O4/c1-13(24(32)29-6-8-33-9-7-29)12-26-23(31)21-14(2)20(27-15(21)3)11-18-17-10-16(25)4-5-19(17)28-22(18)30/h4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,31)(H,28,30)/b18-11-
InChIKeyYJYALULSRUEMLW-WQRHYEAKSA-N
MW454.50 g/mol
LogP2.49
Rot. Bonds5

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

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide (PubChem CID 24877396) 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-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide
PubChem CID24877396
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-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C24H27FN4O4/c1-13(24(32)29-6-8-33-9-7-29)12-26-23(31)21-14(2)20(27-15(21)3)11-18-17-10-16(25)4-5-19(17)28-22(18)30/h4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,31)(H,28,30)/b18-11-
InChIKeyYJYALULSRUEMLW-WQRHYEAKSA-N
XLogP2.49
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 ≤ 52.49
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-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide (CID 24877396) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-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-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(C)C(=O)N1CCOCC1.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide?
The InChIKey is YJYALULSRUEMLW-WQRHYEAKSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-13(24(32)29-6-8-33-9-7-29)12-26-23(31)21-14(2)20(27-15(21)3)11-18-17-10-16(25)4-5-19(17)28-22(18)30/h4-5,10-11,13,27H,6-9,12H2,1-3H3,(H,26,31)(H,28,30)/b18-11-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 2.49, 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-(2-methyl-3-morpholin-4-yl-3-oxopropyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24877396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).