N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide

C146H127ClN30O20 — CID 160690802

IUPACN-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc(-c2c(Cc3ccccc3)nc([C@H](Cc3ccccn3)NC(=O)c3cc4ccccc4[nH]3)n2C)cc1.COc1ccc(NC(=O)C[C@H](NC(=O)c2cc3ccccc3[nH]2)c2ncc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C35H33N5O2.C29H24N6O6.C29H26N6O5.C27H23N7O4.C26H21ClN6O3/c1-3-42-28-18-16-25(17-19-28)33-30(21-24-11-5-4-6-12-24)38-34(40(33)2)31(23-27-14-9-10-20-36-27)39-35(41)32-22-26-13-7-8-15-29(26)37-32;1-34-24(17-6-9-20(10-7-17)35(38)39)15-30-28(34)22(33-29(37)23-12-18-4-2-3-5-21(18)32-23)14-27(36)31-19-8-11-25-26(13-19)41-16-40-25;1-34-26(18-7-11-21(12-8-18)35(38)39)17-30-28(34)24(16-27(36)31-20-9-13-22(40-2)14-10-20)33-29(37)25-15-19-5-3-4-6-23(19)32-25;1-33-23(17-9-11-19(12-10-17)34(37)38)16-29-26(33)21(15-25(35)32-24-8-4-5-13-28-24)31-27(36)22-14-18-6-2-3-7-20(18)30-22;1-32-24(16-5-8-20(9-6-16)33(35)36)15-29-25(32)22(14-19-4-2-3-11-28-19)31-26(34)23-13-17-12-18(27)7-10-21(17)30-23/h4-20,22,31,37H,3,21,23H2,1-2H3,(H,39,41);2-13,15,22,32H,14,16H2,1H3,(H,31,36)(H,33,37);3-15,17,24,32H,16H2,1-2H3,(H,31,36)(H,33,37);2-14,16,21,30H,15H2,1H3,(H,31,36)(H,28,32,35);2-13,15,22,30H,14H2,1H3,(H,31,34)/t31-;22-;24-;21-;22-/m00000/s1
InChIKeyRPJNIJFBKBRFLH-CASRNGSSSA-N
MW2657.26 g/mol
LogP25.97
Rot. Bonds42

About N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide

N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide (PubChem CID 160690802) has the molecular formula C146H127ClN30O20 and a molecular weight of 2657.26 g/mol. Its IUPAC name is N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
PubChem CID160690802
Molecular FormulaC146H127ClN30O20
Molecular Weight2657.26 g/mol
Exact Mass2654.95
IUPAC NameN-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc(-c2c(Cc3ccccc3)nc([C@H](Cc3ccccn3)NC(=O)c3cc4ccccc4[nH]3)n2C)cc1.COc1ccc(NC(=O)C[C@H](NC(=O)c2cc3ccccc3[nH]2)c2ncc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C35H33N5O2.C29H24N6O6.C29H26N6O5.C27H23N7O4.C26H21ClN6O3/c1-3-42-28-18-16-25(17-19-28)33-30(21-24-11-5-4-6-12-24)38-34(40(33)2)31(23-27-14-9-10-20-36-27)39-35(41)32-22-26-13-7-8-15-29(26)37-32;1-34-24(17-6-9-20(10-7-17)35(38)39)15-30-28(34)22(33-29(37)23-12-18-4-2-3-5-21(18)32-23)14-27(36)31-19-8-11-25-26(13-19)41-16-40-25;1-34-26(18-7-11-21(12-8-18)35(38)39)17-30-28(34)24(16-27(36)31-20-9-13-22(40-2)14-10-20)33-29(37)25-15-19-5-3-4-6-23(19)32-25;1-33-23(17-9-11-19(12-10-17)34(37)38)16-29-26(33)21(15-25(35)32-24-8-4-5-13-28-24)31-27(36)22-14-18-6-2-3-7-20(18)30-22;1-32-24(16-5-8-20(9-6-16)33(35)36)15-29-25(32)22(14-19-4-2-3-11-28-19)31-26(34)23-13-17-12-18(27)7-10-21(17)30-23/h4-20,22,31,37H,3,21,23H2,1-2H3,(H,39,41);2-13,15,22,32H,14,16H2,1H3,(H,31,36)(H,33,37);3-15,17,24,32H,16H2,1-2H3,(H,31,36)(H,33,37);2-14,16,21,30H,15H2,1H3,(H,31,36)(H,28,32,35);2-13,15,22,30H,14H2,1H3,(H,31,34)/t31-;22-;24-;21-;22-/m00000/s1
InChIKeyRPJNIJFBKBRFLH-CASRNGSSSA-N
XLogP25.97
TPSA649.00 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002657.26
LogP ≤ 525.97
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 158219474
5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 158242291
5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 159275522
N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide
CID 159306151
N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-(2-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluorophenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenyl-N-propan-2-ylacetamide
CID 159517793
N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-phenylethyl]-1H-indole-2-carboxamide
CID 159751682
5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 161868630

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide (CID 160690802) is N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide is CCOc1ccc(-c2c(Cc3ccccc3)nc([C@H](Cc3ccccn3)NC(=O)c3cc4ccccc4[nH]3)n2C)cc1.COc1ccc(NC(=O)C[C@H](NC(=O)c2cc3ccccc3[nH]2)c2ncc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccc2c(c1)OCO2)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](CC(=O)Nc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc([N+](=O)[O-])cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?
The InChIKey is RPJNIJFBKBRFLH-CASRNGSSSA-N. The full InChI is InChI=1S/C35H33N5O2.C29H24N6O6.C29H26N6O5.C27H23N7O4.C26H21ClN6O3/c1-3-42-28-18-16-25(17-19-28)33-30(21-24-11-5-4-6-12-24)38-34(40(33)2)31(23-27-14-9-10-20-36-27)39-35(41)32-22-26-13-7-8-15-29(26)37-32;1-34-24(17-6-9-20(10-7-17)35(38)39)15-30-28(34)22(33-29(37)23-12-18-4-2-3-5-21(18)32-23)14-27(36)31-19-8-11-25-26(13-19)41-16-40-25;1-34-26(18-7-11-21(12-8-18)35(38)39)17-30-28(34)24(16-27(36)31-20-9-13-22(40-2)14-10-20)33-29(37)25-15-19-5-3-4-6-23(19)32-25;1-33-23(17-9-11-19(12-10-17)34(37)38)16-29-26(33)21(15-25(35)32-24-8-4-5-13-28-24)31-27(36)22-14-18-6-2-3-7-20(18)30-22;1-32-24(16-5-8-20(9-6-16)33(35)36)15-29-25(32)22(14-19-4-2-3-11-28-19)31-26(34)23-13-17-12-18(27)7-10-21(17)30-23/h4-20,22,31,37H,3,21,23H2,1-2H3,(H,39,41);2-13,15,22,32H,14,16H2,1H3,(H,31,36)(H,33,37);3-15,17,24,32H,16H2,1-2H3,(H,31,36)(H,33,37);2-14,16,21,30H,15H2,1H3,(H,31,36)(H,28,32,35);2-13,15,22,30H,14H2,1H3,(H,31,34)/t31-;22-;24-;21-;22-/m00000/s1.
What are the key properties of N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide?
N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide has a molecular weight of 2657.26 g/mol, XLogP of 25.97, 42 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(1,3-benzodioxol-5-ylamino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[4-benzyl-5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide;N-[(1S)-3-(4-methoxyanilino)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxopropyl]-1H-indole-2-carboxamide;N-[(1S)-1-[1-methyl-5-(4-nitrophenyl)imidazol-2-yl]-3-oxo-3-(pyridin-2-ylamino)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 160690802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).