N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide

C104H85Cl3F8N37O2+ — CID 162000515

IUPACN-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide
SMILESCC(Nc1ncnc2nc[nH]c12)C1=C(C#N)C2C=CC(Cl)=CC2N1c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1.C[n+]1c(C(=O)NCC(F)(F)F)[nH]c2c(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncnc21.Cc1cccn2c(C(C)Nc3ncnc4nc[nH]c34)c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C22H17ClFN7.C21H15ClFN7.C21H17F2N7.C20H15ClFN7.C20H20F3N9O2/c1-12(30-22-19-21(27-10-26-19)28-11-29-22)20-17(9-25)16-6-5-13(23)7-18(16)31(20)15-4-2-3-14(24)8-15;1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12;1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13;1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12;1-30-15-13(28-17(30)18(33)25-9-20(21,22)23)16(27-10-26-15)31-7-4-11(5-8-31)32-12-3-2-6-24-14(12)29-19(32)34/h2-8,10-12,16,18H,1H3,(H2,26,27,28,29,30);2-11H,1H3,(H2,24,25,26,27,29);3-10,12H,1-2H3,(H2,24,25,26,27,28);2-11H,1H3,(H2,24,25,26,27,28);2-3,6,10-11H,4-5,7-9H2,1H3,(H2,24,25,29,33,34)/p+1
InChIKeyNVKAFPUVBMMPRM-UHFFFAOYSA-O
MW2143.42 g/mol
LogP19.21
Rot. Bonds20

About N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide

N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide (PubChem CID 162000515) has the molecular formula C104H85Cl3F8N37O2+ and a molecular weight of 2143.42 g/mol. Its IUPAC name is N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide.

Molecular Properties

Compound NameN-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide
PubChem CID162000515
Molecular FormulaC104H85Cl3F8N37O2+
Molecular Weight2143.42 g/mol
Exact Mass2140.66
IUPAC NameN-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide
SMILESCC(Nc1ncnc2nc[nH]c12)C1=C(C#N)C2C=CC(Cl)=CC2N1c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1.C[n+]1c(C(=O)NCC(F)(F)F)[nH]c2c(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncnc21.Cc1cccn2c(C(C)Nc3ncnc4nc[nH]c34)c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C22H17ClFN7.C21H15ClFN7.C21H17F2N7.C20H15ClFN7.C20H20F3N9O2/c1-12(30-22-19-21(27-10-26-19)28-11-29-22)20-17(9-25)16-6-5-13(23)7-18(16)31(20)15-4-2-3-14(24)8-15;1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12;1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13;1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12;1-30-15-13(28-17(30)18(33)25-9-20(21,22)23)16(27-10-26-15)31-7-4-11(5-8-31)32-12-3-2-6-24-14(12)29-19(32)34/h2-8,10-12,16,18H,1H3,(H2,26,27,28,29,30);2-11H,1H3,(H2,24,25,26,27,29);3-10,12H,1-2H3,(H2,24,25,26,27,28);2-11H,1H3,(H2,24,25,26,27,28);2-3,6,10-11H,4-5,7-9H2,1H3,(H2,24,25,29,33,34)/p+1
InChIKeyNVKAFPUVBMMPRM-UHFFFAOYSA-O
XLogP19.21
TPSA481.84 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002143.42
LogP ≤ 519.21
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide with MolForge

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Related Compounds

N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2,6-dichlorophenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[5-ethyl-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]-1,2,4-triazole-3-carboxamide;2-methyl-N-[2-(2-propan-2-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1,2,4-triazole-3-carboxamide
CID 157166874
(3S,4R)-1-[2-[(2S)-1-(3,6-dichloropyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4,5-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157212630
N-[3-chloro-2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)-5-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-3-fluoro-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-ethyl-1,2,4-triazole-3-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1-methylimidazole-2-carboxamide;N-[2-[5-isocyano-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 157457640
1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;4-methyl-1-propan-2-ylcyclohexene;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 157476195
4-chloro-1,3-dimethylindole;7-chloro-3-methyl-2H-indazole;1-cyclopropyl-3-methylindazole;1,3-dimethylindazole;3,7-dimethyl-2H-indazole;2,3-dimethyl-1H-indole;3,7-dimethyl-1H-indole;1,3-dimethylpyrazolo[5,4-b]pyridine;1,3-dimethylpyrazolo[4,5-c]pyridine;1,3-dimethylpyrazolo[3,4-d]pyrimidine;1,3-dimethylpyrrolo[2,3-b]pyridine;1,3-dimethylpyrrolo[3,2-b]pyridine;1,3-dimethylpyrrolo[2,3-c]pyridine;1,3-dimethylpyrrolo[3,2-c]pyridine;3,7-dimethyl-1H-pyrrolo[2,3-c]pyridine;1,3-dimethyl-7-(trifluoromethyl)indole;3-methyl-2H-indazole;3-methyl-1H-indole-7-carbonitrile;3-methyl-1-(trideuteriomethyl)indole;3-methyl-7-(trifluoromethyl)-2H-indazole;3-methyl-7-(trifluoromethyl)-1H-indole;1,3,4-trimethylindole;1,3,6-trimethylpyrrolo[2,3-b]pyridine;1,3,7-trimethylpyrrolo[2,3-c]pyridine
CID 158018596
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 159270168
7-chloro-1H-indazole;4-chloro-1-methylindole;1-cyclopropylindazole;1,3-dihydrobenzimidazol-2-one;1,4-dimethylindole;1,6-dimethylpyrrolo[2,3-b]pyridine;1,7-dimethylpyrrolo[2,3-c]pyridine;1H-indazole;1H-indole-7-carbonitrile;1-methylindazole;7-methyl-1H-indazole;2-methyl-1H-indole;7-methyl-1H-indole;1-methylpyrazolo[5,4-b]pyridine;1-methylpyrazolo[4,5-c]pyridine;1-methylpyrazolo[3,4-d]pyrimidine;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1-methylpyrrolo[3,2-c]pyridine;7-methyl-1H-pyrrolo[2,3-c]pyridine;1-methyl-7-(trifluoromethyl)indole;1-(trideuteriomethyl)indole;7-(trifluoromethyl)-1H-indazole;7-(trifluoromethyl)-1H-indole
CID 159440316
3-tert-butyl-6-chloroimidazo[1,2-a]pyridine;6-tert-butyl-5-chloro-1H-indole;3-tert-butyl-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2-(difluoromethyl)imidazo[1,2-a]pyridine;3-tert-butyl-2,7-dimethylimidazo[1,2-a]pyridine;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;3-tert-butyl-5-methylimidazo[1,2-a]pyridine;bis(3-tert-butyl-7-methylimidazo[1,2-a]pyridine);5-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-7-methylimidazo[1,2-a]pyridine;6-tert-butyl-2-methylimidazo[1,2-a]pyridine;6-tert-butyl-3-methylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;bis(5-tert-butyl-4-methyl-1H-pyrrolo[2,3-b]pyridine)
CID 161583920
1-[7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone;N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]acetamide;5-(6-chloro-1H-indazol-4-yl)-2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;5-(6-chloro-1H-indazol-4-yl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;2,3-dimethyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 161698348
6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167532496
1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-amine;N-[1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]benzimidazol-2-yl]acetamide;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-5-fluoro-N-methylbenzimidazol-2-amine;1-[4-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]-1H-indole-7-carbonitrile
CID 167580458
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(1,3-dimethylindazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167656308

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide?
The IUPAC name of N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide (CID 162000515) is N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide.
What is the SMILES notation for N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide?
The canonical SMILES for N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide is CC(Nc1ncnc2nc[nH]c12)C1=C(C#N)C2C=CC(Cl)=CC2N1c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1.CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2cncn2c1-c1cccc(F)c1.C[n+]1c(C(=O)NCC(F)(F)F)[nH]c2c(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncnc21.Cc1cccn2c(C(C)Nc3ncnc4nc[nH]c34)c(-c3cc(F)cc(F)c3)nc12.
What is the InChIKey of N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide?
The InChIKey is NVKAFPUVBMMPRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H17ClFN7.C21H15ClFN7.C21H17F2N7.C20H15ClFN7.C20H20F3N9O2/c1-12(30-22-19-21(27-10-26-19)28-11-29-22)20-17(9-25)16-6-5-13(23)7-18(16)31(20)15-4-2-3-14(24)8-15;1-11(29-21-19-20(25-9-24-19)26-10-27-21)15-8-16(22)14-5-6-28-30-18(14)17(15)12-3-2-4-13(23)7-12;1-11-4-3-5-30-18(12(2)28-20-17-19(25-9-24-17)26-10-27-20)16(29-21(11)30)13-6-14(22)8-15(23)7-13;1-11(28-20-17-19(25-8-24-17)26-9-27-20)14-6-15(21)16-7-23-10-29(16)18(14)12-3-2-4-13(22)5-12;1-30-15-13(28-17(30)18(33)25-9-20(21,22)23)16(27-10-26-15)31-7-4-11(5-8-31)32-12-3-2-6-24-14(12)29-19(32)34/h2-8,10-12,16,18H,1H3,(H2,26,27,28,29,30);2-11H,1H3,(H2,24,25,26,27,29);3-10,12H,1-2H3,(H2,24,25,26,27,28);2-11H,1H3,(H2,24,25,26,27,28);2-3,6,10-11H,4-5,7-9H2,1H3,(H2,24,25,29,33,34)/p+1.
What are the key properties of N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide?
N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide has a molecular weight of 2143.42 g/mol, XLogP of 19.21, 20 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-8-(3-fluorophenyl)cinnolin-7-yl]ethyl]-7H-purin-6-amine;N-[1-[8-chloro-5-(3-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]-7H-purin-6-amine;6-chloro-1-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]-3a,7a-dihydroindole-3-carbonitrile;N-[1-[2-(3,5-difluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethyl]-7H-purin-6-amine;9-methyl-6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-7H-purin-9-ium-8-carboxamide is sourced from PubChem (CID 162000515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).