4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

C93H95F3N26O6 — CID 160695559

IUPAC4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)ncnn23)CC1.COC(=O)C1CCC(c2nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c3c(N)ncnn23)CC1.NC(=O)C1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C5CC5)c4[nH]3)c12
InChIInChI=1S/C27H26N6O2.C24H25N5O2.C21H20F3N7O.C21H24N8O/c1-35-27(34)18-12-10-17(11-13-18)26-32-23(24-25(28)29-15-30-33(24)26)21-14-19-8-5-9-20(22(19)31-21)16-6-3-2-4-7-16;25-22-21-20(18-12-16-2-1-3-17(13-4-5-13)19(16)27-18)28-23(29(21)11-10-26-22)14-6-8-15(9-7-14)24(30)31;22-21(23,24)13-3-1-2-12-8-14(29-15(12)13)16-17-18(25)27-9-28-31(17)20(30-16)11-6-4-10(5-7-11)19(26)32;1-27(2)21(30)28-9-7-13(8-10-28)20-26-17(18-19(22)23-12-24-29(18)20)16-11-14-5-3-4-6-15(14)25-16/h2-9,14-15,17-18,31H,10-13H2,1H3,(H2,28,29,30);1-3,10-15,27H,4-9H2,(H2,25,26)(H,30,31);1-3,8-11,29H,4-7H2,(H2,26,32)(H2,25,27,28);3-6,11-13,25H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyRPYKBFVJAAZNRX-UHFFFAOYSA-N
MW1729.95 g/mol
LogP16.01
Rot. Bonds13

About 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 160695559) has the molecular formula C93H95F3N26O6 and a molecular weight of 1729.95 g/mol. Its IUPAC name is 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
PubChem CID160695559
Molecular FormulaC93H95F3N26O6
Molecular Weight1729.95 g/mol
Exact Mass1728.79
IUPAC Name4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)ncnn23)CC1.COC(=O)C1CCC(c2nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c3c(N)ncnn23)CC1.NC(=O)C1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C5CC5)c4[nH]3)c12
InChIInChI=1S/C27H26N6O2.C24H25N5O2.C21H20F3N7O.C21H24N8O/c1-35-27(34)18-12-10-17(11-13-18)26-32-23(24-25(28)29-15-30-33(24)26)21-14-19-8-5-9-20(22(19)31-21)16-6-3-2-4-7-16;25-22-21-20(18-12-16-2-1-3-17(13-4-5-13)19(16)27-18)28-23(29(21)11-10-26-22)14-6-8-15(9-7-14)24(30)31;22-21(23,24)13-3-1-2-12-8-14(29-15(12)13)16-17-18(25)27-9-28-31(17)20(30-16)11-6-4-10(5-7-11)19(26)32;1-27(2)21(30)28-9-7-13(8-10-28)20-26-17(18-19(22)23-12-24-29(18)20)16-11-14-5-3-4-6-15(14)25-16/h2-9,14-15,17-18,31H,10-13H2,1H3,(H2,28,29,30);1-3,10-15,27H,4-9H2,(H2,25,26)(H,30,31);1-3,8-11,29H,4-7H2,(H2,26,32)(H2,25,27,28);3-6,11-13,25H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyRPYKBFVJAAZNRX-UHFFFAOYSA-N
XLogP16.01
TPSA456.91 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001729.95
LogP ≤ 516.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]indazol-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136619711
N-[5-[3-[4-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 145664821
3-[[6-[3-[4-[(3-carboxy-2-bicyclo[2.2.2]octanyl)amino]-5-phenylpyrrolo[3,2-d]pyrimidin-2-yl]-5-fluoropyrrolo[2,3-b]pyridin-1-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 149591510
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 157259556
1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 157358624
2-methyl-N-(4-methylphenyl)-5-[3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;bis(N-(4-methylphenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide);N-(4-methylphenyl)-5-(3-pyrimidin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157377466
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157386437
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 157537492
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157817282
N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-2-carboxamide
CID 158079784
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;5-[2-[(1S)-1-[2-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]propanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158365441

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
The IUPAC name of 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 160695559) is 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
The canonical SMILES for 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is CN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)ncnn23)CC1.COC(=O)C1CCC(c2nc(-c3cc4cccc(-c5ccccc5)c4[nH]3)c3c(N)ncnn23)CC1.NC(=O)C1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C5CC5)c4[nH]3)c12.
What is the InChIKey of 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
The InChIKey is RPYKBFVJAAZNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C24H25N5O2.C21H20F3N7O.C21H24N8O/c1-35-27(34)18-12-10-17(11-13-18)26-32-23(24-25(28)29-15-30-33(24)26)21-14-19-8-5-9-20(22(19)31-21)16-6-3-2-4-7-16;25-22-21-20(18-12-16-2-1-3-17(13-4-5-13)19(16)27-18)28-23(29(21)11-10-26-22)14-6-8-15(9-7-14)24(30)31;22-21(23,24)13-3-1-2-12-8-14(29-15(12)13)16-17-18(25)27-9-28-31(17)20(30-16)11-6-4-10(5-7-11)19(26)32;1-27(2)21(30)28-9-7-13(8-10-28)20-26-17(18-19(22)23-12-24-29(18)20)16-11-14-5-3-4-6-15(14)25-16/h2-9,14-15,17-18,31H,10-13H2,1H3,(H2,28,29,30);1-3,10-15,27H,4-9H2,(H2,25,26)(H,30,31);1-3,8-11,29H,4-7H2,(H2,26,32)(H2,25,27,28);3-6,11-13,25H,7-10H2,1-2H3,(H2,22,23,24).
What are the key properties of 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1729.95 g/mol, XLogP of 16.01, 13 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxamide;methyl 4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 160695559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).