ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine

C114H148N22O18 — CID 157153728

IUPACethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cccnc1N1CCNCC1.CCOC(=O)c1cc2cc(N)ccc2[nH]1.CCOC(=O)c1cc2cc(NCCOC)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.COCCCc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1.COCCNc1ccc2[nH]c(C(=O)O)cc2c1.COCCOCCOCCCc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1
InChIInChI=1S/C29H41N5O4.C25H33N5O2.C14H18N2O3.C12H20N4.C12H14N2O3.C11H10N2O4.C11H12N2O2/c1-22(2)31-26-7-4-10-30-28(26)33-11-13-34(14-12-33)29(35)27-21-24-20-23(8-9-25(24)32-27)6-5-15-37-18-19-38-17-16-36-3;1-18(2)27-22-7-4-10-26-24(22)29-11-13-30(14-12-29)25(31)23-17-20-16-19(6-5-15-32-3)8-9-21(20)28-23;1-3-19-14(17)13-9-10-8-11(15-6-7-18-2)4-5-12(10)16-13;1-10(2)15-11-4-3-5-14-12(11)16-8-6-13-7-9-16;1-17-5-4-13-9-2-3-10-8(6-9)7-11(14-10)12(15)16;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h4,7-10,20-22,31-32H,5-6,11-19H2,1-3H3;4,7-10,16-18,27-28H,5-6,11-15H2,1-3H3;4-5,8-9,15-16H,3,6-7H2,1-2H3;3-5,10,13,15H,6-9H2,1-2H3;2-3,6-7,13-14H,4-5H2,1H3,(H,15,16);3-6,12H,2H2,1H3;3-6,13H,2,12H2,1H3
InChIKeyALOGMUBZPFLDKC-UHFFFAOYSA-N
MW2114.57 g/mol
LogP17.70
Rot. Bonds41

About ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine

ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine (PubChem CID 157153728) has the molecular formula C114H148N22O18 and a molecular weight of 2114.57 g/mol. Its IUPAC name is ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Nameethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine
PubChem CID157153728
Molecular FormulaC114H148N22O18
Molecular Weight2114.57 g/mol
Exact Mass2113.13
IUPAC Nameethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cccnc1N1CCNCC1.CCOC(=O)c1cc2cc(N)ccc2[nH]1.CCOC(=O)c1cc2cc(NCCOC)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.COCCCc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1.COCCNc1ccc2[nH]c(C(=O)O)cc2c1.COCCOCCOCCCc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1
InChIInChI=1S/C29H41N5O4.C25H33N5O2.C14H18N2O3.C12H20N4.C12H14N2O3.C11H10N2O4.C11H12N2O2/c1-22(2)31-26-7-4-10-30-28(26)33-11-13-34(14-12-33)29(35)27-21-24-20-23(8-9-25(24)32-27)6-5-15-37-18-19-38-17-16-36-3;1-18(2)27-22-7-4-10-26-24(22)29-11-13-30(14-12-29)25(31)23-17-20-16-19(6-5-15-32-3)8-9-21(20)28-23;1-3-19-14(17)13-9-10-8-11(15-6-7-18-2)4-5-12(10)16-13;1-10(2)15-11-4-3-5-14-12(11)16-8-6-13-7-9-16;1-17-5-4-13-9-2-3-10-8(6-9)7-11(14-10)12(15)16;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h4,7-10,20-22,31-32H,5-6,11-19H2,1-3H3;4,7-10,16-18,27-28H,5-6,11-15H2,1-3H3;4-5,8-9,15-16H,3,6-7H2,1-2H3;3-5,10,13,15H,6-9H2,1-2H3;2-3,6-7,13-14H,4-5H2,1H3,(H,15,16);3-6,12H,2H2,1H3;3-6,13H,2,12H2,1H3
InChIKeyALOGMUBZPFLDKC-UHFFFAOYSA-N
XLogP17.70
TPSA496.67 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002114.57
LogP ≤ 517.70
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine with MolForge

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Related Compounds

4-(dimethylamino)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]butan-1-one;3-(1,4-dioxan-2-yl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;ethyl 5-[4-methyl-2-(3-pyridin-4-ylpropanoyl)-3H-pyrrol-5-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxylate;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-4-morpholin-4-ylbutan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-(oxan-2-yl)propan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-pyridin-2-ylpropan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]propan-1-one
CID 159131647
sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide
CID 162266331
N,N-dimethyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-2-(morpholine-4-carbonyl)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;N-methyl-1-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-2-propan-2-ylbenzimidazole-5-carboxamide;methyl 1-(6-oxo-7,8-dihydro-5H-1,5-naphthyridin-2-yl)-2-propan-2-ylbenzimidazole-5-carboxylate
CID 157262141
Tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole
CID 157419860
3-(2-amino-4-pyridinyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;3-(6-amino-3-pyridinyl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[4-bromo-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-3-pyridin-4-ylpropan-1-one;ethyl 3-fluoro-5-[4-methyl-2-(3-pyridin-4-ylpropanoyl)-3H-pyrrol-5-yl]-1H-indole-2-carboxylate;ethyl 5-[4-methyl-2-(3-pyridin-4-ylpropanoyl)-3H-pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;3-(2-hydroxyoxan-2-yl)-1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]propan-1-one;1-[4-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-3H-pyrrol-2-yl]-2-(oxan-4-yl)ethanone
CID 157666606
1-(hydroxyamino)-4-methyl-N-pyridin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxamide;methyl 4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylate;methyl 4-methyl-1-(phenylmethoxyamino)-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxylate;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid;4-methyl-1-(phenylmethoxyamino)-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxylic acid;4-methyl-1-(phenylmethoxyamino)-N-pyridin-3-yl-4,9-dihydro-3H-pyrido[3,4-b]indole-6-carboxamide
CID 157675405
2-acetyl-N-(2-acetyl-1H-indol-5-yl)-1H-indole-5-carboxamide;2-N-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(1-aminoethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-N-[2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;5-[(2-carboxy-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylic acid;2-N-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methyl]-5-N-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]methylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide;2-ethoxycarbonyl-1H-indole-5-carboxylic acid;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate
CID 158413187
CID 158501899
CID 158501899
sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide
CID 159830510
N,1-dimethyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-pyridin-2-ylindole-5-carboxamide;1-methyl-3-propan-2-yl-N-pyridin-4-ylindole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-2-ylmethyl)indole-5-carboxamide;7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 160155282
N,3-dimethylpyridin-2-amine;ethanol;ethyl 2-hydroxy-1-methyl-3H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 7-hydroxypyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 1H-indole-2-carboxylate;ethyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;ethyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-2-carboxylate;3-methylpyridin-2-amine
CID 160629592
[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one
CID 161305948

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine?
The IUPAC name of ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine (CID 157153728) is ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cccnc1N1CCNCC1.CCOC(=O)c1cc2cc(N)ccc2[nH]1.CCOC(=O)c1cc2cc(NCCOC)ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.COCCCc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1.COCCNc1ccc2[nH]c(C(=O)O)cc2c1.COCCOCCOCCCc1ccc2[nH]c(C(=O)N3CCN(c4ncccc4NC(C)C)CC3)cc2c1.
What is the InChIKey of ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine?
The InChIKey is ALOGMUBZPFLDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O4.C25H33N5O2.C14H18N2O3.C12H20N4.C12H14N2O3.C11H10N2O4.C11H12N2O2/c1-22(2)31-26-7-4-10-30-28(26)33-11-13-34(14-12-33)29(35)27-21-24-20-23(8-9-25(24)32-27)6-5-15-37-18-19-38-17-16-36-3;1-18(2)27-22-7-4-10-26-24(22)29-11-13-30(14-12-29)25(31)23-17-20-16-19(6-5-15-32-3)8-9-21(20)28-23;1-3-19-14(17)13-9-10-8-11(15-6-7-18-2)4-5-12(10)16-13;1-10(2)15-11-4-3-5-14-12(11)16-8-6-13-7-9-16;1-17-5-4-13-9-2-3-10-8(6-9)7-11(14-10)12(15)16;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h4,7-10,20-22,31-32H,5-6,11-19H2,1-3H3;4,7-10,16-18,27-28H,5-6,11-15H2,1-3H3;4-5,8-9,15-16H,3,6-7H2,1-2H3;3-5,10,13,15H,6-9H2,1-2H3;2-3,6-7,13-14H,4-5H2,1H3,(H,15,16);3-6,12H,2H2,1H3;3-6,13H,2,12H2,1H3.
What are the key properties of ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine?
ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine has a molecular weight of 2114.57 g/mol, XLogP of 17.70, 41 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 157153728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).