3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate

C100H123FN16O21 — CID 158984782

IUPAC3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate
SMILESC.CC(C)(C)C(=O)c1cccc2c1N=C(Cn1cccc(N)c1=O)C2.CC(C)(C)C(=O)c1cccc2c1N=C(Cn1cccc([N+](=O)[O-])c1=O)C2.CC(C)(C)C(O)c1cccc2c1N=C(Cn1cccc([N+](=O)[O-])c1=O)C2.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)Cc1cccn(Cc2nc3c(C(=O)C(C)(C)C)cccc3[nH]2)c1=O.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)O.[2H]CF
InChIInChI=1S/C30H37N5O6.C19H21N3O4.C19H19N3O4.C19H21N3O2.C11H18N2O5.CH3F.CH4/c1-30(2,3)27(38)20-12-9-14-22-26(20)33-24(31-22)18-35-16-10-11-19(28(35)39)17-23(36)21(32-29(40)41-6)13-7-8-15-25(37)34(4)5;2*1-19(2,3)17(23)14-7-4-6-12-10-13(20-16(12)14)11-21-9-5-8-15(18(21)24)22(25)26;1-19(2,3)17(23)14-7-4-6-12-10-13(21-16(12)14)11-22-9-5-8-15(20)18(22)24;1-13(2)9(14)7-5-4-6-8(10(15)16)12-11(17)18-3;1-2;/h8-12,14-16,21H,7,13,17-18H2,1-6H3,(H,31,33)(H,32,40);4-9,17,23H,10-11H2,1-3H3;4-9H,10-11H2,1-3H3;4-9H,10-11,20H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,12,17)(H,15,16);1H3;1H4/b15-8+;;;;7-5+;;/t21-;;;;8-;;/m0...0../s1/i;;;;;1D;
InChIKeyJPLBFGQRXJOZGG-YZUNCUPLSA-N
MW1905.18 g/mol
LogP14.17
Rot. Bonds28

About 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate

3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate (PubChem CID 158984782) has the molecular formula C100H123FN16O21 and a molecular weight of 1905.18 g/mol. Its IUPAC name is 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate.

Molecular Properties

Compound Name3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate
PubChem CID158984782
Molecular FormulaC100H123FN16O21
Molecular Weight1905.18 g/mol
Exact Mass1903.91
IUPAC Name3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate
SMILESC.CC(C)(C)C(=O)c1cccc2c1N=C(Cn1cccc(N)c1=O)C2.CC(C)(C)C(=O)c1cccc2c1N=C(Cn1cccc([N+](=O)[O-])c1=O)C2.CC(C)(C)C(O)c1cccc2c1N=C(Cn1cccc([N+](=O)[O-])c1=O)C2.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)Cc1cccn(Cc2nc3c(C(=O)C(C)(C)C)cccc3[nH]2)c1=O.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)O.[2H]CF
InChIInChI=1S/C30H37N5O6.C19H21N3O4.C19H19N3O4.C19H21N3O2.C11H18N2O5.CH3F.CH4/c1-30(2,3)27(38)20-12-9-14-22-26(20)33-24(31-22)18-35-16-10-11-19(28(35)39)17-23(36)21(32-29(40)41-6)13-7-8-15-25(37)34(4)5;2*1-19(2,3)17(23)14-7-4-6-12-10-13(20-16(12)14)11-21-9-5-8-15(18(21)24)22(25)26;1-19(2,3)17(23)14-7-4-6-12-10-13(21-16(12)14)11-22-9-5-8-15(20)18(22)24;1-13(2)9(14)7-5-4-6-8(10(15)16)12-11(17)18-3;1-2;/h8-12,14-16,21H,7,13,17-18H2,1-6H3,(H,31,33)(H,32,40);4-9,17,23H,10-11H2,1-3H3;4-9H,10-11H2,1-3H3;4-9H,10-11,20H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,12,17)(H,15,16);1H3;1H4/b15-8+;;;;7-5+;;/t21-;;;;8-;;/m0...0../s1/i;;;;;1D;
InChIKeyJPLBFGQRXJOZGG-YZUNCUPLSA-N
XLogP14.17
TPSA509.15 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.18
LogP ≤ 514.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate 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

2-[(2R,3R)-3-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-3-hydroxy-2-methylpropyl]-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 161822675
2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridin-3-yl]-1H-benzimidazole-4-carboxylic acid;methyl 2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridin-3-yl]-1H-benzimidazole-4-carboxylate
CID 157148135
2-[(2R,3R)-3-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-3-hydroxy-2-methylpropyl]-1H-benzimidazole-4-carboxylic acid;methyl 2-[(2R,3R)-3-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-3-hydroxy-2-methylpropyl]-1H-benzimidazole-4-carboxylate
CID 157183352
3-amino-1-[[4-(3-methylbutan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[7-(1-hydroxy-2-methylpropyl)-3H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(3-methylbutan-2-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate
CID 157300953
2-amino-1-(3-nitrophenyl)ethanone;tert-butyl (2S)-2-[4-[[2-(3-nitrophenyl)-2-oxoethyl]carbamoyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxylic acid;2-methylpropyl carbonochloridate;hydrochloride
CID 157464939
N-[(3-fluorophenyl)methyl]-2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridin-3-yl]-1H-benzimidazole-4-carboxylic acid
CID 157774355
methyl N-[(E,3S)-8-amino-1-[1-[[4-(1-hydroxy-2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate
CID 159129024
3-amino-1-[[4-(1-hydroxy-2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(1-hydroxy-2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate
CID 160321155
methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(1-hydroxy-2,2-dimethylpropyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate
CID 160321156
2-[(2R,3R)-3-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-3-hydroxy-2-methylpropyl]-1H-benzimidazole-4-carboxylic acid
CID 157183353
methyl 2-[(2R,3R)-3-[(2R,5S,8S,11S,14S,17R,23S,26S,29S,32R)-17-ethyl-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacont-14-yl]-3-hydroxy-2-methylpropyl]-1H-benzimidazole-4-carboxylate
CID 157183354

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate?
The IUPAC name of 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate (CID 158984782) is 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate.
What is the SMILES notation for 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate?
The canonical SMILES for 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate is C.CC(C)(C)C(=O)c1cccc2c1N=C(Cn1cccc(N)c1=O)C2.CC(C)(C)C(=O)c1cccc2c1N=C(Cn1cccc([N+](=O)[O-])c1=O)C2.CC(C)(C)C(O)c1cccc2c1N=C(Cn1cccc([N+](=O)[O-])c1=O)C2.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)Cc1cccn(Cc2nc3c(C(=O)C(C)(C)C)cccc3[nH]2)c1=O.COC(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)O.[2H]CF.
What is the InChIKey of 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate?
The InChIKey is JPLBFGQRXJOZGG-YZUNCUPLSA-N. The full InChI is InChI=1S/C30H37N5O6.C19H21N3O4.C19H19N3O4.C19H21N3O2.C11H18N2O5.CH3F.CH4/c1-30(2,3)27(38)20-12-9-14-22-26(20)33-24(31-22)18-35-16-10-11-19(28(35)39)17-23(36)21(32-29(40)41-6)13-7-8-15-25(37)34(4)5;2*1-19(2,3)17(23)14-7-4-6-12-10-13(20-16(12)14)11-21-9-5-8-15(18(21)24)22(25)26;1-19(2,3)17(23)14-7-4-6-12-10-13(21-16(12)14)11-22-9-5-8-15(20)18(22)24;1-13(2)9(14)7-5-4-6-8(10(15)16)12-11(17)18-3;1-2;/h8-12,14-16,21H,7,13,17-18H2,1-6H3,(H,31,33)(H,32,40);4-9,17,23H,10-11H2,1-3H3;4-9H,10-11H2,1-3H3;4-9H,10-11,20H2,1-3H3;5,7-8H,4,6H2,1-3H3,(H,12,17)(H,15,16);1H3;1H4/b15-8+;;;;7-5+;;/t21-;;;;8-;;/m0...0../s1/i;;;;;1D;.
What are the key properties of 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate?
3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate has a molecular weight of 1905.18 g/mol, XLogP of 14.17, 28 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]pyridin-2-one;deuterio(fluoro)methane;(E,2S)-7-(dimethylamino)-2-(methoxycarbonylamino)-7-oxohept-5-enoic acid;1-[[7-(2,2-dimethylpropanoyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;1-[[7-(1-hydroxy-2,2-dimethylpropyl)-3H-indol-2-yl]methyl]-3-nitropyridin-2-one;methane;methyl N-[(E,3S)-8-(dimethylamino)-1-[1-[[4-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-2,8-dioxooct-6-en-3-yl]carbamate is sourced from PubChem (CID 158984782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).