tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole

C116H122ClN25O13 — CID 159247344

IUPACtert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole
SMILESCC(C)(C)OC(=O)n1ccc(-c2ccc(N)cc2)c1.CC(C)(C)OC(=O)n1ccc(-c2ccc([N+](=O)[O-])cc2)c1.Cc1nn(C)c2cc(-c3cc(Cl)nc(N4CCOCC4)n3)ccc12.Cc1nn(C)c2cc(-c3cc(Nc4ccc(-c5cc[nH]c5)cc4)nc(N4CCOCC4)n3)ccc12.Cc1nn(C)c2cc(-c3cc(Nc4ccc(-c5ccn(C(=O)OC(C)(C)C)c5)cc4)nc(N4CCOCC4)n3)ccc12.O=[N+]([O-])c1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C32H35N7O3.C27H27N7O.C17H18ClN5O.C15H16N2O4.C15H18N2O2.C10H8N2O2/c1-21-26-11-8-23(18-28(26)37(5)36-21)27-19-29(35-30(34-27)38-14-16-41-17-15-38)33-25-9-6-22(7-10-25)24-12-13-39(20-24)31(40)42-32(2,3)4;1-18-23-8-5-20(15-25(23)33(2)32-18)24-16-26(31-27(30-24)34-11-13-35-14-12-34)29-22-6-3-19(4-7-22)21-9-10-28-17-21;1-11-13-4-3-12(9-15(13)22(2)21-11)14-10-16(18)20-17(19-14)23-5-7-24-8-6-23;1-15(2,3)21-14(18)16-9-8-12(10-16)11-4-6-13(7-5-11)17(19)20;1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11;13-12(14)10-3-1-8(2-4-10)9-5-6-11-7-9/h6-13,18-20H,14-17H2,1-5H3,(H,33,34,35);3-10,15-17,28H,11-14H2,1-2H3,(H,29,30,31);3-4,9-10H,5-8H2,1-2H3;4-10H,1-3H3;4-10H,16H2,1-3H3;1-7,11H
InChIKeyKUVQYAVDWCJYTD-UHFFFAOYSA-N
MW2109.87 g/mol
LogP23.87
Rot. Bonds17

About tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole

tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole (PubChem CID 159247344) has the molecular formula C116H122ClN25O13 and a molecular weight of 2109.87 g/mol. Its IUPAC name is tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole.

Molecular Properties

Compound Nametert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole
PubChem CID159247344
Molecular FormulaC116H122ClN25O13
Molecular Weight2109.87 g/mol
Exact Mass2107.93
IUPAC Nametert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole
SMILESCC(C)(C)OC(=O)n1ccc(-c2ccc(N)cc2)c1.CC(C)(C)OC(=O)n1ccc(-c2ccc([N+](=O)[O-])cc2)c1.Cc1nn(C)c2cc(-c3cc(Cl)nc(N4CCOCC4)n3)ccc12.Cc1nn(C)c2cc(-c3cc(Nc4ccc(-c5cc[nH]c5)cc4)nc(N4CCOCC4)n3)ccc12.Cc1nn(C)c2cc(-c3cc(Nc4ccc(-c5ccn(C(=O)OC(C)(C)C)c5)cc4)nc(N4CCOCC4)n3)ccc12.O=[N+]([O-])c1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C32H35N7O3.C27H27N7O.C17H18ClN5O.C15H16N2O4.C15H18N2O2.C10H8N2O2/c1-21-26-11-8-23(18-28(26)37(5)36-21)27-19-29(35-30(34-27)38-14-16-41-17-15-38)33-25-9-6-22(7-10-25)24-12-13-39(20-24)31(40)42-32(2,3)4;1-18-23-8-5-20(15-25(23)33(2)32-18)24-16-26(31-27(30-24)34-11-13-35-14-12-34)29-22-6-3-19(4-7-22)21-9-10-28-17-21;1-11-13-4-3-12(9-15(13)22(2)21-11)14-10-16(18)20-17(19-14)23-5-7-24-8-6-23;1-15(2,3)21-14(18)16-9-8-12(10-16)11-4-6-13(7-5-11)17(19)20;1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11;13-12(14)10-3-1-8(2-4-10)9-5-6-11-7-9/h6-13,18-20H,14-17H2,1-5H3,(H,33,34,35);3-10,15-17,28H,11-14H2,1-2H3,(H,29,30,31);3-4,9-10H,5-8H2,1-2H3;4-10H,1-3H3;4-10H,16H2,1-3H3;1-7,11H
InChIKeyKUVQYAVDWCJYTD-UHFFFAOYSA-N
XLogP23.87
TPSA429.84 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002109.87
LogP ≤ 523.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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 tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;2-(4,5-dimethylpyrazol-1-yl)ethanol;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-[3,4-dimethyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol;3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(2-(3,4,5-trimethylpyrazol-1-yl)ethanol);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 157635039
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;2-cyclohexyl-5-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 160851683
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;4,5-dimethyl-1H-pyrazole;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol;bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);bis(1,3,4-trimethyl-5-(trifluoromethyl)pyrazole)
CID 161713600
Tert-butyl 4-[4-(4-aminophenyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[4-[(2-chloro-5-nitropyrimidin-4-yl)amino]phenyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[4-[[2-[(1-methylpyrazol-4-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]pyrazol-1-yl]piperidine-1-carboxylate;2,4-dichloro-5-nitropyrimidine;1-methylpyrazol-4-amine
CID 157177654
tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;5-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-N-methyl-2-(3-morpholin-4-ylpropanimidoyl)aniline;N-[4-(1H-imidazol-5-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;5-(4-nitrophenyl)-1H-imidazole;5-phenyl-1H-imidazole
CID 157440395
1-[(6-chloro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-[(5-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1-[(1-methylindol-6-yl)methyl]pyridin-2-one;1-[(5-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-(1H-indol-3-ylmethyl)-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1-methylindol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(3-methyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyridin-2-one
CID 157912124
(5S)-3-[4-(2-chloro-4-pyridinyl)-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-(1H-indol-6-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-[2-(1,4-oxazepan-4-yl)pyrimidin-5-yl]phenyl]-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 157935459
3-[4-(2-chloro-4-pyridinyl)-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-(1H-indol-6-yl)phenyl]-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-[2-(1,4-oxazepan-4-yl)pyrimidin-5-yl]phenyl]-1,3-oxazolidin-2-one;5-ethyl-3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 157935465
N-(2-chloropyrimidin-4-yl)-N,2,3,5-tetramethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,5-dimethyl-6-nitro-2H-indazole;4-N-methyl-4-N-(2,3,5-trimethylindazol-6-yl)-2-N-(2,4,5-trimethylphenyl)pyrimidine-2,4-diamine;sulfane;2,4,5-trimethylaniline;2,3,5-trimethyl-6-nitroindazole;tritium monohydride
CID 158094156
tert-butyl 4-(4-aminophenyl)imidazole-1-carboxylate;tert-butyl 4-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]imidazole-1-carboxylate;tert-butyl 4-(4-nitrophenyl)imidazole-1-carboxylate;carbanide;4-[4-chloro-6-(1-methylindazol-6-yl)pyrimidin-2-yl]morpholine;N-[4-(1H-imidazol-5-yl)phenyl]-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;methane;methanol;5-(4-nitrophenyl)-1H-imidazole;palladium;5-phenyl-1H-imidazole;hydrochloride
CID 158628053
4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;1-methylindol-6-amine;1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 158701251
tert-butyl N-[4-[[5-(1,6-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]carbamate;tert-butyl N-[4-[(3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]carbamate;4-chloro-1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;bis(4-[[5-(1,6-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl]methyl]bicyclo[2.2.2]octan-1-amine);hydrochloride
CID 158707234

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole?
The IUPAC name of tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole (CID 159247344) is tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole.
What is the SMILES notation for tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole?
The canonical SMILES for tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole is CC(C)(C)OC(=O)n1ccc(-c2ccc(N)cc2)c1.CC(C)(C)OC(=O)n1ccc(-c2ccc([N+](=O)[O-])cc2)c1.Cc1nn(C)c2cc(-c3cc(Cl)nc(N4CCOCC4)n3)ccc12.Cc1nn(C)c2cc(-c3cc(Nc4ccc(-c5cc[nH]c5)cc4)nc(N4CCOCC4)n3)ccc12.Cc1nn(C)c2cc(-c3cc(Nc4ccc(-c5ccn(C(=O)OC(C)(C)C)c5)cc4)nc(N4CCOCC4)n3)ccc12.O=[N+]([O-])c1ccc(-c2cc[nH]c2)cc1.
What is the InChIKey of tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole?
The InChIKey is KUVQYAVDWCJYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O3.C27H27N7O.C17H18ClN5O.C15H16N2O4.C15H18N2O2.C10H8N2O2/c1-21-26-11-8-23(18-28(26)37(5)36-21)27-19-29(35-30(34-27)38-14-16-41-17-15-38)33-25-9-6-22(7-10-25)24-12-13-39(20-24)31(40)42-32(2,3)4;1-18-23-8-5-20(15-25(23)33(2)32-18)24-16-26(31-27(30-24)34-11-13-35-14-12-34)29-22-6-3-19(4-7-22)21-9-10-28-17-21;1-11-13-4-3-12(9-15(13)22(2)21-11)14-10-16(18)20-17(19-14)23-5-7-24-8-6-23;1-15(2,3)21-14(18)16-9-8-12(10-16)11-4-6-13(7-5-11)17(19)20;1-15(2,3)19-14(18)17-9-8-12(10-17)11-4-6-13(16)7-5-11;13-12(14)10-3-1-8(2-4-10)9-5-6-11-7-9/h6-13,18-20H,14-17H2,1-5H3,(H,33,34,35);3-10,15-17,28H,11-14H2,1-2H3,(H,29,30,31);3-4,9-10H,5-8H2,1-2H3;4-10H,1-3H3;4-10H,16H2,1-3H3;1-7,11H.
What are the key properties of tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole?
tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole has a molecular weight of 2109.87 g/mol, XLogP of 23.87, 17 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-aminophenyl)pyrrole-1-carboxylate;tert-butyl 3-[4-[[6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate;tert-butyl 3-(4-nitrophenyl)pyrrole-1-carboxylate;4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine;6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-(1H-pyrrol-3-yl)phenyl]pyrimidin-4-amine;3-(4-nitrophenyl)-1H-pyrrole is sourced from PubChem (CID 159247344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).