4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride

C184H199Cl2N39O20Si2 — CID 157375852

IUPAC4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.CCNCC.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc21.Nc1ccc2nc(CN3CCCCC3)ccc2c1.Nc1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.O=Cc1ccc2cc([N+](=O)[O-])ccc2n1.O=[N+]([O-])c1ccc2nc(CN3CCCCC3)ccc2c1.O=[N+]([O-])c1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1
InChIInChI=1S/C33H39N7O4Si.C30H29N7O2.C28H26N6O3.C28H28N6O.C18H21ClN4O4Si.C15H17N3O2.C15H19N3.C10H6N2O3.C4H11N.C3H3ClO/c1-45(2,3)19-18-43-23-39-17-14-29-31(39)36-33(37-32(29)44-28-9-7-8-27(21-28)40(41)42)35-25-12-13-30-24(20-25)10-11-26(34-30)22-38-15-5-4-6-16-38;1-2-27(38)33-21-7-6-8-24(18-21)39-29-25-13-14-31-28(25)35-30(36-29)34-22-11-12-26-20(17-22)9-10-23(32-26)19-37-15-4-3-5-16-37;35-34(36)23-5-4-6-24(17-23)37-27-25-11-12-29-26(25)31-28(32-27)30-22-10-9-20-15-19(7-8-21(20)16-22)18-33-13-2-1-3-14-33;29-22-5-4-6-24(17-22)35-27-25-11-12-30-26(25)32-28(33-27)31-23-10-9-20-15-19(7-8-21(20)16-23)18-34-13-2-1-3-14-34;1-28(2,3)10-9-26-12-22-8-7-15-16(22)20-18(19)21-17(15)27-14-6-4-5-13(11-14)23(24)25;19-18(20)14-6-7-15-12(10-14)4-5-13(16-15)11-17-8-2-1-3-9-17;16-13-5-7-15-12(10-13)4-6-14(17-15)11-18-8-2-1-3-9-18;13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8;1-3-5-4-2;1-2-3(4)5/h7-14,17,20-21H,4-6,15-16,18-19,22-23H2,1-3H3,(H,35,36,37);2,6-14,17-18H,1,3-5,15-16,19H2,(H,33,38)(H2,31,34,35,36);4-12,15-17H,1-3,13-14,18H2,(H2,29,30,31,32);4-12,15-17H,1-3,13-14,18,29H2,(H2,30,31,32,33);4-8,11H,9-10,12H2,1-3H3;4-7,10H,1-3,8-9,11H2;4-7,10H,1-3,8-9,11,16H2;1-6H;5H,3-4H2,1-2H3;2H,1H2
InChIKeyBKHYLXNABYBMHA-UHFFFAOYSA-N
MW3403.95 g/mol
LogP41.17
Rot. Bonds51

About 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride

4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride (PubChem CID 157375852) has the molecular formula C184H199Cl2N39O20Si2 and a molecular weight of 3403.95 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

Compound Name4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
PubChem CID157375852
Molecular FormulaC184H199Cl2N39O20Si2
Molecular Weight3403.95 g/mol
Exact Mass3400.47
IUPAC Name4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.CCNCC.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc21.Nc1ccc2nc(CN3CCCCC3)ccc2c1.Nc1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.O=Cc1ccc2cc([N+](=O)[O-])ccc2n1.O=[N+]([O-])c1ccc2nc(CN3CCCCC3)ccc2c1.O=[N+]([O-])c1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1
InChIInChI=1S/C33H39N7O4Si.C30H29N7O2.C28H26N6O3.C28H28N6O.C18H21ClN4O4Si.C15H17N3O2.C15H19N3.C10H6N2O3.C4H11N.C3H3ClO/c1-45(2,3)19-18-43-23-39-17-14-29-31(39)36-33(37-32(29)44-28-9-7-8-27(21-28)40(41)42)35-25-12-13-30-24(20-25)10-11-26(34-30)22-38-15-5-4-6-16-38;1-2-27(38)33-21-7-6-8-24(18-21)39-29-25-13-14-31-28(25)35-30(36-29)34-22-11-12-26-20(17-22)9-10-23(32-26)19-37-15-4-3-5-16-37;35-34(36)23-5-4-6-24(17-23)37-27-25-11-12-29-26(25)31-28(32-27)30-22-10-9-20-15-19(7-8-21(20)16-22)18-33-13-2-1-3-14-33;29-22-5-4-6-24(17-22)35-27-25-11-12-30-26(25)32-28(33-27)31-23-10-9-20-15-19(7-8-21(20)16-23)18-34-13-2-1-3-14-34;1-28(2,3)10-9-26-12-22-8-7-15-16(22)20-18(19)21-17(15)27-14-6-4-5-13(11-14)23(24)25;19-18(20)14-6-7-15-12(10-14)4-5-13(16-15)11-17-8-2-1-3-9-17;16-13-5-7-15-12(10-13)4-6-14(17-15)11-18-8-2-1-3-9-18;13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8;1-3-5-4-2;1-2-3(4)5/h7-14,17,20-21H,4-6,15-16,18-19,22-23H2,1-3H3,(H,35,36,37);2,6-14,17-18H,1,3-5,15-16,19H2,(H,33,38)(H2,31,34,35,36);4-12,15-17H,1-3,13-14,18H2,(H2,29,30,31,32);4-12,15-17H,1-3,13-14,18,29H2,(H2,30,31,32,33);4-8,11H,9-10,12H2,1-3H3;4-7,10H,1-3,8-9,11H2;4-7,10H,1-3,8-9,11,16H2;1-6H;5H,3-4H2,1-2H3;2H,1H2
InChIKeyBKHYLXNABYBMHA-UHFFFAOYSA-N
XLogP41.17
TPSA725.76 Ų
H-Bond Donors11
H-Bond Acceptors50
Rotatable Bonds51
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003403.95
LogP ≤ 541.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride with MolForge

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Related Compounds

4-(3-aminophenoxy)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-N,N-dimethylethanamine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-(dimethylamino)ethanol;1-[2-(dimethylamino)ethyl]indol-5-amine;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N,N-dimethyl-2-(5-nitroindol-1-yl)ethanamine;5-nitro-1H-indole;prop-2-enoyl chloride;thionyl dichloride
CID 157562655
4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 157906957
4-(3-aminophenoxy)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-N,N-dimethylethanamine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-(dimethylamino)ethanol;1-[2-(dimethylamino)ethyl]indol-5-amine;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N,N-dimethyl-2-(5-nitroindol-1-yl)ethanamine;ethane;5-nitro-1H-indole;prop-2-enoyl chloride;thionyl dichloride
CID 158403236
4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;methane;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 158650949
4-(3-aminophenoxy)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-N,N-dimethylethanamine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-(dimethylamino)ethanol;1-[2-(dimethylamino)ethyl]indol-5-amine;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N,N-dimethyl-2-(5-nitroindol-1-yl)ethanamine;5-nitro-1H-indole;prop-2-enoyl chloride;thionyl dichloride
CID 160656447
4-(3-aminophenoxy)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-N,N-dimethylethanamine;2-[[2-chloro-4-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-(dimethylamino)ethanol;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N,N-dimethyl-2-(5-methylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-nitroindol-1-yl)ethanamine;5-nitro-1H-indole;prop-2-enoyl chloride;thionyl dichloride
CID 160730906
4-(3-aminophenoxy)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-N,N-dimethylethanamine;2-[[2-chloro-4-[(3-nitrophenyl)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-(dimethylamino)ethanol;1-[2-(dimethylamino)ethyl]indol-5-amine;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N,N-dimethyl-2-(5-nitroindol-1-yl)ethanamine;5-nitro-1H-indole;prop-2-enoyl chloride;thionyl dichloride
CID 161097077
4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine;N-ethylethanamine;methane;bis(4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine);6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 161233866
4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;ethane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 161388972
4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 161389433
4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;methane;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 161699823
4-(3-aminophenoxy)-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-chloro-N,N-dimethylethanamine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-(dimethylamino)ethanol;1-[2-(dimethylamino)ethyl]indol-5-amine;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N,N-dimethyl-2-(5-nitroindol-1-yl)ethanamine;methane;5-nitro-1H-indole;prop-2-enoyl chloride;thionyl dichloride
CID 161940122

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?
The IUPAC name of 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride (CID 157375852) is 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride.
What is the SMILES notation for 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?
The canonical SMILES for 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.CCNCC.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3cccc([N+](=O)[O-])c3)nc(Nc3ccc4nc(CN5CCCCC5)ccc4c3)nc21.Nc1ccc2nc(CN3CCCCC3)ccc2c1.Nc1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.O=Cc1ccc2cc([N+](=O)[O-])ccc2n1.O=[N+]([O-])c1ccc2nc(CN3CCCCC3)ccc2c1.O=[N+]([O-])c1cccc(Oc2nc(Nc3ccc4cc(CN5CCCCC5)ccc4c3)nc3[nH]ccc23)c1.
What is the InChIKey of 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?
The InChIKey is BKHYLXNABYBMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N7O4Si.C30H29N7O2.C28H26N6O3.C28H28N6O.C18H21ClN4O4Si.C15H17N3O2.C15H19N3.C10H6N2O3.C4H11N.C3H3ClO/c1-45(2,3)19-18-43-23-39-17-14-29-31(39)36-33(37-32(29)44-28-9-7-8-27(21-28)40(41)42)35-25-12-13-30-24(20-25)10-11-26(34-30)22-38-15-5-4-6-16-38;1-2-27(38)33-21-7-6-8-24(18-21)39-29-25-13-14-31-28(25)35-30(36-29)34-22-11-12-26-20(17-22)9-10-23(32-26)19-37-15-4-3-5-16-37;35-34(36)23-5-4-6-24(17-23)37-27-25-11-12-29-26(25)31-28(32-27)30-22-10-9-20-15-19(7-8-21(20)16-22)18-33-13-2-1-3-14-33;29-22-5-4-6-24(17-22)35-27-25-11-12-30-26(25)32-28(33-27)31-23-10-9-20-15-19(7-8-21(20)16-23)18-34-13-2-1-3-14-34;1-28(2,3)10-9-26-12-22-8-7-15-16(22)20-18(19)21-17(15)27-14-6-4-5-13(11-14)23(24)25;19-18(20)14-6-7-15-12(10-14)4-5-13(16-15)11-17-8-2-1-3-9-17;16-13-5-7-15-12(10-13)4-6-14(17-15)11-18-8-2-1-3-9-18;13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8;1-3-5-4-2;1-2-3(4)5/h7-14,17,20-21H,4-6,15-16,18-19,22-23H2,1-3H3,(H,35,36,37);2,6-14,17-18H,1,3-5,15-16,19H2,(H,33,38)(H2,31,34,35,36);4-12,15-17H,1-3,13-14,18H2,(H2,29,30,31,32);4-12,15-17H,1-3,13-14,18,29H2,(H2,30,31,32,33);4-8,11H,9-10,12H2,1-3H3;4-7,10H,1-3,8-9,11H2;4-7,10H,1-3,8-9,11,16H2;1-6H;5H,3-4H2,1-2H3;2H,1H2.
What are the key properties of 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride?
4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride has a molecular weight of 3403.95 g/mol, XLogP of 41.17, 51 rotatable bonds, 11 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[[2-chloro-4-(3-nitrophenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-ethylethanamine;4-(3-nitrophenoxy)-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(3-nitrophenoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2-(piperidin-1-ylmethyl)quinolin-6-amine;6-nitro-2-(piperidin-1-ylmethyl)quinoline;6-nitroquinoline-2-carbaldehyde;2-(piperidin-1-ylmethyl)quinolin-6-amine;N-[3-[[2-[[2-(piperidin-1-ylmethyl)quinolin-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 157375852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).