N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

C138H156F6N24O25 — CID 159860047

IUPACN-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H](O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CON(C)C(=O)C(O)CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N1CCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N1CCCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC[C@H](O)C(=O)N1CCCCC1
InChIInChI=1S/C25H29FN4O4.C24H27FN4O4.C24H29FN4O4.C23H25FN4O4.C21H23FN4O5.C21H23FN4O4/c1-14-20(13-18-17-12-16(26)6-7-19(17)29-23(18)32)28-15(2)22(14)24(33)27-9-8-21(31)25(34)30-10-4-3-5-11-30;1-13-19(11-17-16-10-15(25)6-7-18(16)28-22(17)31)27-14(2)21(13)23(32)26-12-20(30)24(33)29-8-4-3-5-9-29;1-5-29(6-2)24(33)20(30)9-10-26-23(32)21-13(3)19(27-14(21)4)12-17-16-11-15(25)7-8-18(16)28-22(17)31;1-12-18(10-16-15-9-14(24)5-6-17(15)27-21(16)30)26-13(2)20(12)22(31)25-11-19(29)23(32)28-7-3-4-8-28;1-10-16(8-14-13-7-12(22)5-6-15(13)25-19(14)28)24-11(2)18(10)20(29)23-9-17(27)21(30)26(3)31-4;1-10-16(8-14-13-7-12(22)5-6-15(13)25-19(14)28)24-11(2)18(10)20(29)23-9-17(27)21(30)26(3)4/h6-7,12-13,21,28,31H,3-5,8-11H2,1-2H3,(H,27,33)(H,29,32);6-7,10-11,20,27,30H,3-5,8-9,12H2,1-2H3,(H,26,32)(H,28,31);7-8,11-12,20,27,30H,5-6,9-10H2,1-4H3,(H,26,32)(H,28,31);5-6,9-10,19,26,29H,3-4,7-8,11H2,1-2H3,(H,25,31)(H,27,30);5-8,17,24,27H,9H2,1-4H3,(H,23,29)(H,25,28);5-8,17,24,27H,9H2,1-4H3,(H,23,29)(H,25,28)/b18-13-;17-11-;17-12-;16-10-;2*14-8-/t21-;;20-;;;/m0.0.../s1
InChIKeyNRAJVPRPQDYSIB-CXXYYEOTSA-N
MW2664.90 g/mol
LogP12.53
Rot. Bonds35

About N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 159860047) has the molecular formula C138H156F6N24O25 and a molecular weight of 2664.90 g/mol. Its IUPAC name is N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID159860047
Molecular FormulaC138H156F6N24O25
Molecular Weight2664.90 g/mol
Exact Mass2663.16
IUPAC NameN-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H](O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CON(C)C(=O)C(O)CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N1CCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N1CCCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC[C@H](O)C(=O)N1CCCCC1
InChIInChI=1S/C25H29FN4O4.C24H27FN4O4.C24H29FN4O4.C23H25FN4O4.C21H23FN4O5.C21H23FN4O4/c1-14-20(13-18-17-12-16(26)6-7-19(17)29-23(18)32)28-15(2)22(14)24(33)27-9-8-21(31)25(34)30-10-4-3-5-11-30;1-13-19(11-17-16-10-15(25)6-7-18(16)28-22(17)31)27-14(2)21(13)23(32)26-12-20(30)24(33)29-8-4-3-5-9-29;1-5-29(6-2)24(33)20(30)9-10-26-23(32)21-13(3)19(27-14(21)4)12-17-16-11-15(25)7-8-18(16)28-22(17)31;1-12-18(10-16-15-9-14(24)5-6-17(15)27-21(16)30)26-13(2)20(12)22(31)25-11-19(29)23(32)28-7-3-4-8-28;1-10-16(8-14-13-7-12(22)5-6-15(13)25-19(14)28)24-11(2)18(10)20(29)23-9-17(27)21(30)26(3)31-4;1-10-16(8-14-13-7-12(22)5-6-15(13)25-19(14)28)24-11(2)18(10)20(29)23-9-17(27)21(30)26(3)4/h6-7,12-13,21,28,31H,3-5,8-11H2,1-2H3,(H,27,33)(H,29,32);6-7,10-11,20,27,30H,3-5,8-9,12H2,1-2H3,(H,26,32)(H,28,31);7-8,11-12,20,27,30H,5-6,9-10H2,1-4H3,(H,26,32)(H,28,31);5-6,9-10,19,26,29H,3-4,7-8,11H2,1-2H3,(H,25,31)(H,27,30);5-8,17,24,27H,9H2,1-4H3,(H,23,29)(H,25,28);5-8,17,24,27H,9H2,1-4H3,(H,23,29)(H,25,28)/b18-13-;17-11-;17-12-;16-10-;2*14-8-/t21-;;20-;;;/m0.0.../s1
InChIKeyNRAJVPRPQDYSIB-CXXYYEOTSA-N
XLogP12.53
TPSA696.41 Ų
H-Bond Donors24
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002664.90
LogP ≤ 512.53
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 73171800
N-[(3S)-4-(dimethylamino)-3-methoxy-4-oxobutyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91458285
N-(3,5-dihydroxy-7-oxo-7-piperidin-1-ylheptyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 11214663
(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
methyl (2S)-3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-hydroxypropanoate
CID 58773270
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-[ethyl(methyl)amino]ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91295175
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
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
N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;propane
CID 143339739
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-4-(4-methylpiperazin-1-yl)-4-oxobutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 72967852

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 159860047) is N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)C(=O)[C@@H](O)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.CON(C)C(=O)C(O)CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N(C)C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N1CCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC(O)C(=O)N1CCCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC[C@H](O)C(=O)N1CCCCC1.
What is the InChIKey of N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is NRAJVPRPQDYSIB-CXXYYEOTSA-N. The full InChI is InChI=1S/C25H29FN4O4.C24H27FN4O4.C24H29FN4O4.C23H25FN4O4.C21H23FN4O5.C21H23FN4O4/c1-14-20(13-18-17-12-16(26)6-7-19(17)29-23(18)32)28-15(2)22(14)24(33)27-9-8-21(31)25(34)30-10-4-3-5-11-30;1-13-19(11-17-16-10-15(25)6-7-18(16)28-22(17)31)27-14(2)21(13)23(32)26-12-20(30)24(33)29-8-4-3-5-9-29;1-5-29(6-2)24(33)20(30)9-10-26-23(32)21-13(3)19(27-14(21)4)12-17-16-11-15(25)7-8-18(16)28-22(17)31;1-12-18(10-16-15-9-14(24)5-6-17(15)27-21(16)30)26-13(2)20(12)22(31)25-11-19(29)23(32)28-7-3-4-8-28;1-10-16(8-14-13-7-12(22)5-6-15(13)25-19(14)28)24-11(2)18(10)20(29)23-9-17(27)21(30)26(3)31-4;1-10-16(8-14-13-7-12(22)5-6-15(13)25-19(14)28)24-11(2)18(10)20(29)23-9-17(27)21(30)26(3)4/h6-7,12-13,21,28,31H,3-5,8-11H2,1-2H3,(H,27,33)(H,29,32);6-7,10-11,20,27,30H,3-5,8-9,12H2,1-2H3,(H,26,32)(H,28,31);7-8,11-12,20,27,30H,5-6,9-10H2,1-4H3,(H,26,32)(H,28,31);5-6,9-10,19,26,29H,3-4,7-8,11H2,1-2H3,(H,25,31)(H,27,30);5-8,17,24,27H,9H2,1-4H3,(H,23,29)(H,25,28);5-8,17,24,27H,9H2,1-4H3,(H,23,29)(H,25,28)/b18-13-;17-11-;17-12-;16-10-;2*14-8-/t21-;;20-;;;/m0.0.../s1.
What are the key properties of N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 2664.90 g/mol, XLogP of 12.53, 35 rotatable bonds, 24 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-(diethylamino)-3-hydroxy-4-oxobutyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[3-(dimethylamino)-2-hydroxy-3-oxopropyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-hydroxy-3-[methoxy(methyl)amino]-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-3-hydroxy-4-oxo-4-piperidin-1-ylbutyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-piperidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 159860047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).