5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide

C26H26F2N4O2 — CID 25121714

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(-c2ccc(F)cc2)c1C(=O)NCCNC(C)C
InChIInChI=1S/C26H26F2N4O2/c1-14(2)29-10-11-30-26(34)23-15(3)31-22(24(23)16-4-6-17(27)7-5-16)13-20-19-12-18(28)8-9-21(19)32-25(20)33/h4-9,12-14,29,31H,10-11H2,1-3H3,(H,30,34)(H,32,33)/b20-13-
InChIKeyFQGBNFVZVWEMNC-MOSHPQCFSA-N
MW464.52 g/mol
LogP4.49
Rot. Bonds7

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 25121714) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID25121714
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(-c2ccc(F)cc2)c1C(=O)NCCNC(C)C
InChIInChI=1S/C26H26F2N4O2/c1-14(2)29-10-11-30-26(34)23-15(3)31-22(24(23)16-4-6-17(27)7-5-16)13-20-19-12-18(28)8-9-21(19)32-25(20)33/h4-9,12-14,29,31H,10-11H2,1-3H3,(H,30,34)(H,32,33)/b20-13-
InChIKeyFQGBNFVZVWEMNC-MOSHPQCFSA-N
XLogP4.49
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.49
H-Bond Donors ≤ 54
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'}

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Related Compounds

2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-4-phenyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide
CID 25118907
4-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 69242679
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(3-hydroxybutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 143059254
N-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-5-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 25122434
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
hydroxylamine;methyl 3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoate
CID 91494445
(2S)-4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 11992287
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
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(2-hydroxyethylamino)butyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 67281070
N-[2-[ethyl(methyl)amino]ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91295175
N-[(3S)-4-(dimethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 11992468
2-[3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]propanoylamino]acetic acid
CID 68843585

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide (CID 25121714) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(-c2ccc(F)cc2)c1C(=O)NCCNC(C)C.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FQGBNFVZVWEMNC-MOSHPQCFSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-14(2)29-10-11-30-26(34)23-15(3)31-22(24(23)16-4-6-17(27)7-5-16)13-20-19-12-18(28)8-9-21(19)32-25(20)33/h4-9,12-14,29,31H,10-11H2,1-3H3,(H,30,34)(H,32,33)/b20-13-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-(4-fluorophenyl)-2-methyl-N-[2-(propan-2-ylamino)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25121714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).