benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid

C107H95F12N13O19 — CID 159795806

IUPACbenzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid
SMILESNC(=O)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1.O=C(O)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C(OCc1ccccc1)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C/C=N/c1cc(C(=O)OCc2ccccc2)n2ccccc12
InChIInChI=1S/C30H26F3N3O5.C23H21F3N4O4.C23H20F3N3O5.C18H14N2O3.C13H14F3NO2/c31-30(32,33)41-22-11-6-10-21(16-22)17-27(37)25-13-7-15-36(25)29(39)34-23-18-26(35-14-5-4-12-24(23)35)28(38)40-19-20-8-2-1-3-9-20;24-23(25,26)34-15-6-3-5-14(11-15)12-20(31)18-8-4-10-30(18)22(33)28-16-13-19(21(27)32)29-9-2-1-7-17(16)29;24-23(25,26)34-15-6-3-5-14(11-15)12-20(30)18-8-4-10-29(18)22(33)27-16-13-19(21(31)32)28-9-2-1-7-17(16)28;21-11-9-19-15-12-17(20-10-5-4-8-16(15)20)18(22)23-13-14-6-2-1-3-7-14;14-13(15,16)19-10-4-1-3-9(7-10)8-12(18)11-5-2-6-17-11/h1-6,8-12,14,16,18,25H,7,13,15,17,19H2,(H,34,39);1-3,5-7,9,11,13,18H,4,8,10,12H2,(H2,27,32)(H,28,33);1-3,5-7,9,11,13,18H,4,8,10,12H2,(H,27,33)(H,31,32);1-12H,13H2;1,3-4,7,11,17H,2,5-6,8H2/b;;;19-9+;/t25-;2*18-;;11-/m000.0/s1
InChIKeyNJDUWHALAJQVDC-WIPFAJHPSA-N
MW2094.98 g/mol
LogP19.74
Rot. Bonds29

About benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid

benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid (PubChem CID 159795806) has the molecular formula C107H95F12N13O19 and a molecular weight of 2094.98 g/mol. Its IUPAC name is benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid.

Molecular Properties

Compound Namebenzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid
PubChem CID159795806
Molecular FormulaC107H95F12N13O19
Molecular Weight2094.98 g/mol
Exact Mass2093.67
IUPAC Namebenzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid
SMILESNC(=O)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1.O=C(O)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C(OCc1ccccc1)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C/C=N/c1cc(C(=O)OCc2ccccc2)n2ccccc12
InChIInChI=1S/C30H26F3N3O5.C23H21F3N4O4.C23H20F3N3O5.C18H14N2O3.C13H14F3NO2/c31-30(32,33)41-22-11-6-10-21(16-22)17-27(37)25-13-7-15-36(25)29(39)34-23-18-26(35-14-5-4-12-24(23)35)28(38)40-19-20-8-2-1-3-9-20;24-23(25,26)34-15-6-3-5-14(11-15)12-20(31)18-8-4-10-30(18)22(33)28-16-13-19(21(27)32)29-9-2-1-7-17(16)29;24-23(25,26)34-15-6-3-5-14(11-15)12-20(30)18-8-4-10-29(18)22(33)27-16-13-19(21(31)32)28-9-2-1-7-17(16)28;21-11-9-19-15-12-17(20-10-5-4-8-16(15)20)18(22)23-13-14-6-2-1-3-7-14;14-13(15,16)19-10-4-1-3-9(7-10)8-12(18)11-5-2-6-17-11/h1-6,8-12,14,16,18,25H,7,13,15,17,19H2,(H,34,39);1-3,5-7,9,11,13,18H,4,8,10,12H2,(H2,27,32)(H,28,33);1-3,5-7,9,11,13,18H,4,8,10,12H2,(H,27,33)(H,31,32);1-12H,13H2;1,3-4,7,11,17H,2,5-6,8H2/b;;;19-9+;/t25-;2*18-;;11-/m000.0/s1
InChIKeyNJDUWHALAJQVDC-WIPFAJHPSA-N
XLogP19.74
TPSA394.31 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002094.98
LogP ≤ 519.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl 5-[2-methyl-1-[[3-[2-[[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]methylamino]-2-oxoethoxy]benzoyl]amino]indolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoate;2-[3-[[3-[3-benzylperoxycarbonyl-4-[(2,2,2-trifluoroacetyl)amino]benzoyl]-2-methylindolizin-1-yl]carbamoyl]phenoxy]acetic acid;methanediamine
CID 90988459
Amino formate;benzyl 5-[2-methyl-1-[[3-[2-[[3-[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]indolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoate;5-[1-[[3-[2-[[3-[2-[3-[[3-[3-carboxy-4-(trifluoromethoxymethylideneamino)benzoyl]-2-methylindolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 157094670
tert-butyl (2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carboxylate;2-(1-carbamoylindol-3-yl)acetic acid;dichloromethane;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;3-(trifluoromethoxy)aniline;3-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indole-1-carboxamide
CID 157855727
tert-butyl (2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carboxylate;dichloromethane;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;3-(2-oxoethylideneamino)indole-1-carboxamide;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;3-(trifluoromethoxy)aniline;3-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indole-1-carboxamide
CID 158605011
2-(3-ethoxycarbonylindol-1-yl)acetic acid;ethyl 1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxylate;1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxamide;1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxylic acid;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 158967652
Disodium;2-amino-5-[1-[2-[2-[[3-(4-amino-3-carboxybenzoyl)-2-methylindolizin-1-yl]amino]ethoxy]ethylamino]-2-methylindolizine-3-carbonyl]benzoic acid;2-amino-5-[1-[[3-[2-[[3-[2-[3-[[3-(4-amino-3-carboxybenzoyl)-2-methylindolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]benzoic acid;5-[1-[[3-[2-[[3-[2-[3-[[3-[3-carboxy-4-(trifluoromethoxymethylideneamino)benzoyl]-2-methylindolizin-1-yl]carbamoyl]phenoxy]ethylamino]-3-oxopropanoyl]amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid;methane;methyl 2-amino-5-[1-[2-[2-[[3-(4-amino-3-methoxycarbonylbenzoyl)-2-methylindolizin-1-yl]amino]ethoxy]ethylamino]-2-methylindolizine-3-carbonyl]benzoate;dihydroxide
CID 159163945
Benzyl 5-(1-amino-2-methylindolizine-3-carbonyl)-2-[(2,2,2-trifluoroacetyl)amino]benzoate;3-[2-[2-[[2-(3-carboxyphenoxy)acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid;methane;methyl 2-amino-5-(1-aminoimidazo[1,5-a]pyridine-3-carbonyl)benzoate;methyl 2-amino-5-[1-[[3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoyl]amino]imidazo[1,5-a]pyridine-3-carbonyl]benzoate;3-[2-[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]ethylamino]-2-oxoethoxy]benzoic acid
CID 159240990
Tert-butyl 4-[[3-(2-aminoethyl)-5-(2-morpholin-4-ylethoxy)indol-1-yl]methyl]benzoate;tert-butyl 4-[[4-methyl-12-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-16-yl]methyl]benzoate;tert-butyl 4-[[5-(2-morpholin-4-ylethoxy)-3-(2-nitroethyl)indol-1-yl]methyl]benzoate;ethyl 9-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydropyrido[3,4-b]indole-1-carboxylate;methane;4-[[4-methyl-12-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-16-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 159790168
Benzyl 5-[1-[[3-[2-[(2-aminoacetyl)amino]ethoxy]benzoyl]amino]-2-methylindolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoate;benzyl 5-[2-methyl-1-[[3-[2-[[2-[[2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetyl]amino]acetyl]amino]ethoxy]benzoyl]amino]indolizine-3-carbonyl]-2-[(2,2,2-trifluoroacetyl)amino]benzoate;methane;2-[3-[[2-methyl-3-[3-phenylmethoxycarbonyl-4-(trifluoromethoxymethylideneamino)benzoyl]indolizin-1-yl]carbamoyl]phenoxy]acetic acid
CID 159960760
Tert-butyl 4-[[3-(2-aminoethyl)-5-(2-morpholin-4-ylethoxy)indol-1-yl]methyl]benzoate;tert-butyl 4-[[4-methyl-12-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-16-yl]methyl]benzoate;tert-butyl 4-[[5-(2-morpholin-4-ylethoxy)-3-(2-nitroethyl)indol-1-yl]methyl]benzoate;ethyl 9-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-6-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydropyrido[3,4-b]indole-1-carboxylate;methane;4-[[4-methyl-12-(2-morpholin-4-ylethoxy)-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-16-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid;hydrochloride
CID 160366506
1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine
CID 160529767
2-[4-[2-[[1-[3-[Bis[2-[4-[4-[[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]oxybutylamino]-2-oxoethyl]amino]pyrrolidin-1-yl]-5-[3-[bis[2-[4-[4-[[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]oxybutylamino]-2-oxoethyl]amino]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170236141

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid?
The IUPAC name of benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid (CID 159795806) is benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid.
What is the SMILES notation for benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid?
The canonical SMILES for benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid is NC(=O)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C(Cc1cccc(OC(F)(F)F)c1)[C@@H]1CCCN1.O=C(O)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C(OCc1ccccc1)c1cc(NC(=O)N2CCC[C@H]2C(=O)Cc2cccc(OC(F)(F)F)c2)c2ccccn12.O=C/C=N/c1cc(C(=O)OCc2ccccc2)n2ccccc12.
What is the InChIKey of benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid?
The InChIKey is NJDUWHALAJQVDC-WIPFAJHPSA-N. The full InChI is InChI=1S/C30H26F3N3O5.C23H21F3N4O4.C23H20F3N3O5.C18H14N2O3.C13H14F3NO2/c31-30(32,33)41-22-11-6-10-21(16-22)17-27(37)25-13-7-15-36(25)29(39)34-23-18-26(35-14-5-4-12-24(23)35)28(38)40-19-20-8-2-1-3-9-20;24-23(25,26)34-15-6-3-5-14(11-15)12-20(31)18-8-4-10-30(18)22(33)28-16-13-19(21(27)32)29-9-2-1-7-17(16)29;24-23(25,26)34-15-6-3-5-14(11-15)12-20(30)18-8-4-10-29(18)22(33)27-16-13-19(21(31)32)28-9-2-1-7-17(16)28;21-11-9-19-15-12-17(20-10-5-4-8-16(15)20)18(22)23-13-14-6-2-1-3-7-14;14-13(15,16)19-10-4-1-3-9(7-10)8-12(18)11-5-2-6-17-11/h1-6,8-12,14,16,18,25H,7,13,15,17,19H2,(H,34,39);1-3,5-7,9,11,13,18H,4,8,10,12H2,(H2,27,32)(H,28,33);1-3,5-7,9,11,13,18H,4,8,10,12H2,(H,27,33)(H,31,32);1-12H,13H2;1,3-4,7,11,17H,2,5-6,8H2/b;;;19-9+;/t25-;2*18-;;11-/m000.0/s1.
What are the key properties of benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid?
benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid has a molecular weight of 2094.98 g/mol, XLogP of 19.74, 29 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(2-oxoethylideneamino)indolizine-3-carboxylate;benzyl 1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylate;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxamide;1-[[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidine-1-carbonyl]amino]indolizine-3-carboxylic acid is sourced from PubChem (CID 159795806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).