N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C138H156F6N26O26 — CID 158499578

IUPACN-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CO)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CO)C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CCC(=O)N(C)C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CO)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CO)C(=O)N1CCOCC1
InChIInChI=1S/2C25H30FN5O4.2C23H25FN4O5.2C21H23FN4O4/c2*1-13-20(12-17-16-11-15(26)7-8-18(16)28-23(17)33)27-14(2)22(13)24(34)29-19(25(35)31(5)6)9-10-21(32)30(3)4;2*1-12-18(10-16-15-9-14(24)3-4-17(15)26-21(16)30)25-13(2)20(12)22(31)27-19(11-29)23(32)28-5-7-33-8-6-28;2*1-10-16(8-14-13-7-12(22)5-6-15(13)24-19(14)28)23-11(2)18(10)20(29)25-17(9-27)21(30)26(3)4/h2*7-8,11-12,19,27H,9-10H2,1-6H3,(H,28,33)(H,29,34);2*3-4,9-10,19,25,29H,5-8,11H2,1-2H3,(H,26,30)(H,27,31);2*5-8,17,23,27H,9H2,1-4H3,(H,24,28)(H,25,29)/b2*17-12-;2*16-10-;2*14-8-/t4*19-;2*17-/m101010/s1
InChIKeyHJSKZOHJBRFZHC-MNYXNCTESA-N
MW2708.91 g/mol
LogP9.95
Rot. Bonds34

About N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 158499578) has the molecular formula C138H156F6N26O26 and a molecular weight of 2708.91 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID158499578
Molecular FormulaC138H156F6N26O26
Molecular Weight2708.91 g/mol
Exact Mass2707.16
IUPAC NameN-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CO)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CO)C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CCC(=O)N(C)C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CO)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CO)C(=O)N1CCOCC1
InChIInChI=1S/2C25H30FN5O4.2C23H25FN4O5.2C21H23FN4O4/c2*1-13-20(12-17-16-11-15(26)7-8-18(16)28-23(17)33)27-14(2)22(13)24(34)29-19(25(35)31(5)6)9-10-21(32)30(3)4;2*1-12-18(10-16-15-9-14(24)3-4-17(15)26-21(16)30)25-13(2)20(12)22(31)27-19(11-29)23(32)28-5-7-33-8-6-28;2*1-10-16(8-14-13-7-12(22)5-6-15(13)24-19(14)28)23-11(2)18(10)20(29)25-17(9-27)21(30)26(3)4/h2*7-8,11-12,19,27H,9-10H2,1-6H3,(H,28,33)(H,29,34);2*3-4,9-10,19,25,29H,5-8,11H2,1-2H3,(H,26,30)(H,27,31);2*5-8,17,23,27H,9H2,1-4H3,(H,24,28)(H,25,29)/b2*17-12-;2*16-10-;2*14-8-/t4*19-;2*17-/m101010/s1
InChIKeyHJSKZOHJBRFZHC-MNYXNCTESA-N
XLogP9.95
TPSA705.80 Ų
H-Bond Donors22
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002708.91
LogP ≤ 59.95
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

4-[[2-[2-[2,3,4-tris[2-[2-[4-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxybutylamino]-2-oxoethoxy]ethoxy]pentoxy]ethoxy]acetyl]amino]butyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 123283540
6-[[2-[2-[2,3,4-tris[2-[2-[6-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyhexylamino]-2-oxoethoxy]ethoxy]pentoxy]ethoxy]acetyl]amino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 123413137
2-[4-[2-[2-[2,3,4-tris[2-[2-[4-[2-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]pentoxy]ethoxy]acetyl]piperazin-1-yl]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 124005537
2-[4-[2-[2-[3-[2-[2-[4-[2-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[4-[2-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethyl]piperazin-1-yl]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]piperazin-1-yl]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140625262
6-[[2-[2-[3-[2-[2-[6-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyhexylamino]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[6-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyhexylamino]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140625263
[1-[2-[2-[3-[2-[2-[4-[[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxymethyl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[4-[[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxymethyl]piperidin-1-yl]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]piperidin-4-yl]methyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140625264
4-[[2-[2-[3-[2-[2-[4-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxybutylamino]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[4-[2-(diethylamino)ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxybutylamino]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]butyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140625265
4-[[2-[2-[3-[2-[2-[4-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxybutylamino]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[4-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxybutylamino]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]butyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140843867
[4-[2-[2-[3-[2-[2-[4-[[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxymethyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[4-[[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxymethyl]piperazin-1-yl]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]piperazin-1-yl]methyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140843868
6-[[2-[2-[3-[2-[2-[6-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyhexylamino]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[6-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyhexylamino]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]hexyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140843870
2-[4-[2-[2-[3-[2-[2-[4-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[4-[2-[2-[ethyl(methyl)amino]ethyl-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamoyl]oxyethyl]piperazin-1-yl]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]piperazin-1-yl]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
CID 140843871
N-[3-[4-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperazin-1-yl]propyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 155281250

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 158499578) is N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CO)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@@H](CO)C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CCC(=O)N(C)C)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CO)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H](CO)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is HJSKZOHJBRFZHC-MNYXNCTESA-N. The full InChI is InChI=1S/2C25H30FN5O4.2C23H25FN4O5.2C21H23FN4O4/c2*1-13-20(12-17-16-11-15(26)7-8-18(16)28-23(17)33)27-14(2)22(13)24(34)29-19(25(35)31(5)6)9-10-21(32)30(3)4;2*1-12-18(10-16-15-9-14(24)3-4-17(15)26-21(16)30)25-13(2)20(12)22(31)27-19(11-29)23(32)28-5-7-33-8-6-28;2*1-10-16(8-14-13-7-12(22)5-6-15(13)24-19(14)28)23-11(2)18(10)20(29)25-17(9-27)21(30)26(3)4/h2*7-8,11-12,19,27H,9-10H2,1-6H3,(H,28,33)(H,29,34);2*3-4,9-10,19,25,29H,5-8,11H2,1-2H3,(H,26,30)(H,27,31);2*5-8,17,23,27H,9H2,1-4H3,(H,24,28)(H,25,29)/b2*17-12-;2*16-10-;2*14-8-/t4*19-;2*17-/m101010/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 2708.91 g/mol, XLogP of 9.95, 34 rotatable bonds, 22 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[(2R)-1-(dimethylamino)-3-hydroxy-1-oxopropan-2-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;(2R)-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-N,N,N',N'-tetramethylpentanediamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158499578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).