N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide

C159H172N24O10S4 — CID 158140904

IUPACN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide
SMILES[2H]C([2H])(NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4=CCC(c5ccccc5)=C4)cc32)c1C)C([2H])([2H])N(CC)CC.[2H]C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C)C([2H])([2H])C([2H])([2H])NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C.[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NC([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C)c3C)C(=O)N4)cs2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NC([2H])([2H])C([2H])([2H])N(CC)CC)c3C)C(=O)N4)cs2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)N4)cs2)c([2H])c1[2H]
InChIInChI=1S/C33H36N4O2.2C32H35N5O2S.2C31H33N5O2S/c1-5-37(6-2)17-16-34-33(39)31-21(3)30(35-22(31)4)20-28-27-19-26(14-15-29(27)36-32(28)38)25-13-12-24(18-25)23-10-8-7-9-11-23;2*1-5-15-37(6-2)16-14-33-31(39)29-20(3)27(34-21(29)4)18-25-24-17-23(12-13-26(24)35-30(25)38)28-19-40-32(36-28)22-10-8-7-9-11-22;2*1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-11,13-15,18-20,35H,5-6,12,16-17H2,1-4H3,(H,34,39)(H,36,38);2*7-13,17-19,34H,5-6,14-16H2,1-4H3,(H,33,39)(H,35,38);2*7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b28-20-;2*25-18-;2*24-17-/i16D2,17D2;2D3,5D2,6D2,7D,8D,9D,10D,11D,14D2,15D2,16D2;2D3,5D2,6D2,14D2,15D2,16D2;7D,8D,9D,10D,11D,14D2,15D2;7D,8D,9D,10D,11D
InChIKeyFTXRBMIUALOERE-DYUZBXPCSA-N
MW2756.85 g/mol
LogP30.79
Rot. Bonds49

About N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 158140904) has the molecular formula C159H172N24O10S4 and a molecular weight of 2756.85 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide
PubChem CID158140904
Molecular FormulaC159H172N24O10S4
Molecular Weight2756.85 g/mol
Exact Mass2754.56
IUPAC NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide
SMILES[2H]C([2H])(NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4=CCC(c5ccccc5)=C4)cc32)c1C)C([2H])([2H])N(CC)CC.[2H]C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C)C([2H])([2H])C([2H])([2H])NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C.[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NC([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C)c3C)C(=O)N4)cs2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NC([2H])([2H])C([2H])([2H])N(CC)CC)c3C)C(=O)N4)cs2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)N4)cs2)c([2H])c1[2H]
InChIInChI=1S/C33H36N4O2.2C32H35N5O2S.2C31H33N5O2S/c1-5-37(6-2)17-16-34-33(39)31-21(3)30(35-22(31)4)20-28-27-19-26(14-15-29(27)36-32(28)38)25-13-12-24(18-25)23-10-8-7-9-11-23;2*1-5-15-37(6-2)16-14-33-31(39)29-20(3)27(34-21(29)4)18-25-24-17-23(12-13-26(24)35-30(25)38)28-19-40-32(36-28)22-10-8-7-9-11-22;2*1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-11,13-15,18-20,35H,5-6,12,16-17H2,1-4H3,(H,34,39)(H,36,38);2*7-13,17-19,34H,5-6,14-16H2,1-4H3,(H,33,39)(H,35,38);2*7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b28-20-;2*25-18-;2*24-17-/i16D2,17D2;2D3,5D2,6D2,7D,8D,9D,10D,11D,14D2,15D2,16D2;2D3,5D2,6D2,14D2,15D2,16D2;7D,8D,9D,10D,11D,14D2,15D2;7D,8D,9D,10D,11D
InChIKeyFTXRBMIUALOERE-DYUZBXPCSA-N
XLogP30.79
TPSA437.71 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds49
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.85
LogP ≤ 530.79
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Analyze N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide (CID 158140904) is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide is [2H]C([2H])(NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4=CCC(c5ccccc5)=C4)cc32)c1C)C([2H])([2H])N(CC)CC.[2H]C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C)C([2H])([2H])C([2H])([2H])NC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C.[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NC([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C)c3C)C(=O)N4)cs2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NC([2H])([2H])C([2H])([2H])N(CC)CC)c3C)C(=O)N4)cs2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)N4)cs2)c([2H])c1[2H].
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FTXRBMIUALOERE-DYUZBXPCSA-N. The full InChI is InChI=1S/C33H36N4O2.2C32H35N5O2S.2C31H33N5O2S/c1-5-37(6-2)17-16-34-33(39)31-21(3)30(35-22(31)4)20-28-27-19-26(14-15-29(27)36-32(28)38)25-13-12-24(18-25)23-10-8-7-9-11-23;2*1-5-15-37(6-2)16-14-33-31(39)29-20(3)27(34-21(29)4)18-25-24-17-23(12-13-26(24)35-30(25)38)28-19-40-32(36-28)22-10-8-7-9-11-22;2*1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-11,13-15,18-20,35H,5-6,12,16-17H2,1-4H3,(H,34,39)(H,36,38);2*7-13,17-19,34H,5-6,14-16H2,1-4H3,(H,33,39)(H,35,38);2*7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b28-20-;2*25-18-;2*24-17-/i16D2,17D2;2D3,5D2,6D2,7D,8D,9D,10D,11D,14D2,15D2,16D2;2D3,5D2,6D2,14D2,15D2,16D2;7D,8D,9D,10D,11D,14D2,15D2;7D,8D,9D,10D,11D.
What are the key properties of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 2756.85 g/mol, XLogP of 30.79, 49 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-4-yl]-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(4-phenylcyclopenta-1,4-dien-1-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide;2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-N-[1,1,2,2-tetradeuterio-2-[1,1,2,2,2-pentadeuterioethyl(1,1,2,2-tetradeuteriopropyl)amino]ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158140904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).