3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol

C214H266Cl2N40O5 — CID 157320320

IUPAC3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol
SMILESCC(CNCc1ccccn1)N(CCNCc1ccccn1)Cc1ccc(CNCCc2cccc(Cl)c2)cc1.CCN(CCN(CCNCc1ccccn1)Cc1ccc(CNCCc2c[nH]c3c(C)cccc23)cc1)Cc1ccccn1.Cc1cccc2c(CCNCc3ccc(CN(CCNCc4ccccn4)CCNC(CCO)c4ccccn4)cc3)c[nH]c12.OC(CCNCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1cccc(Cl)c1.OC(CCNCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1cccc(OCc2ccccc2)c1.OCCC(NCCN(CCNCc1ccccn1)Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)c1ccccn1
InChIInChI=1S/C40H48N6O2.C37H47N7O.C37H47N7.C34H42N8O.C33H41ClN6O.C33H41ClN6/c47-40(36-11-8-14-39(27-36)48-32-35-9-2-1-3-10-35)19-22-41-28-33-15-17-34(18-16-33)31-46(25-23-42-29-37-12-4-6-20-44-37)26-24-43-30-38-13-5-7-21-45-38;1-29-7-6-9-34-32(26-43-37(29)34)15-19-38-25-30-11-13-31(14-12-30)28-44(22-20-39-27-33-8-2-4-17-40-33)23-21-42-36(16-24-45)35-10-3-5-18-41-35;1-3-43(29-35-11-5-7-19-41-35)23-24-44(22-21-39-27-34-10-4-6-18-40-34)28-32-15-13-31(14-16-32)25-38-20-17-33-26-42-37-30(2)9-8-12-36(33)37;43-22-15-31(30-8-4-6-17-38-30)39-19-21-42(20-18-35-24-29-7-3-5-16-37-29)26-28-13-11-27(12-14-28)23-36-25-34-40-32-9-1-2-10-33(32)41-34;34-30-7-5-6-29(22-30)33(41)14-17-35-23-27-10-12-28(13-11-27)26-40(20-18-36-24-31-8-1-3-15-38-31)21-19-37-25-32-9-2-4-16-39-32;1-27(22-37-25-33-10-3-5-17-39-33)40(20-19-36-24-32-9-2-4-16-38-32)26-30-13-11-29(12-14-30)23-35-18-15-28-7-6-8-31(34)21-28/h1-18,20-21,27,40-43,47H,19,22-26,28-32H2;2-14,17-18,26,36,38-39,42-43,45H,15-16,19-25,27-28H2,1H3;4-16,18-19,26,38-39,42H,3,17,20-25,27-29H2,1-2H3;1-14,16-17,31,35-36,39,43H,15,18-26H2,(H,40,41);1-13,15-16,22,33,35-37,41H,14,17-21,23-26H2;2-14,16-17,21,27,35-37H,15,18-20,22-26H2,1H3
InChIKeyBEBWVDQOMIGWCC-UHFFFAOYSA-N
MW3549.66 g/mol
LogP30.17
Rot. Bonds111

About 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol

3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol (PubChem CID 157320320) has the molecular formula C214H266Cl2N40O5 and a molecular weight of 3549.66 g/mol. Its IUPAC name is 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol
PubChem CID157320320
Molecular FormulaC214H266Cl2N40O5
Molecular Weight3549.66 g/mol
Exact Mass3546.12
IUPAC Name3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol
SMILESCC(CNCc1ccccn1)N(CCNCc1ccccn1)Cc1ccc(CNCCc2cccc(Cl)c2)cc1.CCN(CCN(CCNCc1ccccn1)Cc1ccc(CNCCc2c[nH]c3c(C)cccc23)cc1)Cc1ccccn1.Cc1cccc2c(CCNCc3ccc(CN(CCNCc4ccccn4)CCNC(CCO)c4ccccn4)cc3)c[nH]c12.OC(CCNCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1cccc(Cl)c1.OC(CCNCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1cccc(OCc2ccccc2)c1.OCCC(NCCN(CCNCc1ccccn1)Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)c1ccccn1
InChIInChI=1S/C40H48N6O2.C37H47N7O.C37H47N7.C34H42N8O.C33H41ClN6O.C33H41ClN6/c47-40(36-11-8-14-39(27-36)48-32-35-9-2-1-3-10-35)19-22-41-28-33-15-17-34(18-16-33)31-46(25-23-42-29-37-12-4-6-20-44-37)26-24-43-30-38-13-5-7-21-45-38;1-29-7-6-9-34-32(26-43-37(29)34)15-19-38-25-30-11-13-31(14-12-30)28-44(22-20-39-27-33-8-2-4-17-40-33)23-21-42-36(16-24-45)35-10-3-5-18-41-35;1-3-43(29-35-11-5-7-19-41-35)23-24-44(22-21-39-27-34-10-4-6-18-40-34)28-32-15-13-31(14-16-32)25-38-20-17-33-26-42-37-30(2)9-8-12-36(33)37;43-22-15-31(30-8-4-6-17-38-30)39-19-21-42(20-18-35-24-29-7-3-5-16-37-29)26-28-13-11-27(12-14-28)23-36-25-34-40-32-9-1-2-10-33(32)41-34;34-30-7-5-6-29(22-30)33(41)14-17-35-23-27-10-12-28(13-11-27)26-40(20-18-36-24-31-8-1-3-15-38-31)21-19-37-25-32-9-2-4-16-39-32;1-27(22-37-25-33-10-3-5-17-39-33)40(20-19-36-24-32-9-2-4-16-38-32)26-30-13-11-29(12-14-30)23-35-18-15-28-7-6-8-31(34)21-28/h1-18,20-21,27,40-43,47H,19,22-26,28-32H2;2-14,17-18,26,36,38-39,42-43,45H,15-16,19-25,27-28H2,1H3;4-16,18-19,26,38-39,42H,3,17,20-25,27-29H2,1-2H3;1-14,16-17,31,35-36,39,43H,15,18-26H2,(H,40,41);1-13,15-16,22,33,35-37,41H,14,17-21,23-26H2;2-14,16-17,21,27,35-37H,15,18-20,22-26H2,1H3
InChIKeyBEBWVDQOMIGWCC-UHFFFAOYSA-N
XLogP30.17
TPSA532.28 Ų
H-Bond Donors24
H-Bond Acceptors42
Rotatable Bonds111
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003549.66
LogP ≤ 530.17
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol with MolForge

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Related Compounds

8-[[4-[[12-[(3Z,5Z)-7-chlorohepta-1,3,5-trien-2-yl]-8-[[4-[[12-(3-chlorophenyl)-4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl]oxy]piperidin-1-yl]methyl]-4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl]oxy]piperidin-1-yl]methyl]-3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 117681728
8-[3-[[12-(2-Chlorophenyl)-8-[[4-[[12-(3-chlorophenyl)-4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl]oxy]piperidin-1-yl]methyl]-4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-3-yl]oxy]hexyliminomethyl]-3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 117681741
N-[[5-[6-(4-chlorophenyl)-11-methyl-8-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-6H-chromeno[4,3-b]indol-3-yl]-1H-imidazol-2-yl]methyl]propan-1-amine;ethane
CID 144353923
N-[[5-[6-(4-chlorophenyl)-11-methyl-8-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-6H-chromeno[4,3-b]indol-3-yl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 144353924
(Z)-N-(1-tert-butylpyrrolidin-2-yl)-1-[1-chloro-6-(3-ethylphenyl)-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-N'-methylethene-1,2-diamine;methanol;N-methylmethanamine
CID 144354188
1-[7-[4-chloro-2-[3-[2-[3-[7-[4-chloro-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl]pyrrolidin-1-yl]ethoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 146410970
(E)-N-[5-[4-chloro-2-[3-[3-(dimethylamino)propoxy]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]-3-[3-[4-chloro-3-[4-methyl-3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-6-(4-methylpiperazin-1-yl)-2-pyridinyl]prop-2-enamide
CID 148057703
N-[[4-[[[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]-N'-cyclohexylpropane-1,3-diamine;N-[[4-[[[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]-N'-cyclohexylpropane-1,3-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-cyclohexylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[[[4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 157235977
1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(diethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 157311005
CID 157418091
CID 157418091
12-(2-Chlorophenyl)-3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-(3-chlorophenyl)-3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-(4-cyanophenyl)-3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-ethylpiperidin-4-yl)oxy-12-(4-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-ethylpiperidin-4-yl)oxy-12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 157576899
5-(5-chloro-2,3-dihydroindol-1-yl)-7-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline;1-[3-[5-(5-chloro-2,3-dihydroindol-1-yl)-2-pyridin-3-ylquinazolin-7-yl]phenyl]-N-methylmethanamine;2-methyloxolane
CID 157623173

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol (CID 157320320) is 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol is CC(CNCc1ccccn1)N(CCNCc1ccccn1)Cc1ccc(CNCCc2cccc(Cl)c2)cc1.CCN(CCN(CCNCc1ccccn1)Cc1ccc(CNCCc2c[nH]c3c(C)cccc23)cc1)Cc1ccccn1.Cc1cccc2c(CCNCc3ccc(CN(CCNCc4ccccn4)CCNC(CCO)c4ccccn4)cc3)c[nH]c12.OC(CCNCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1cccc(Cl)c1.OC(CCNCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1cccc(OCc2ccccc2)c1.OCCC(NCCN(CCNCc1ccccn1)Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)c1ccccn1.
What is the InChIKey of 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol?
The InChIKey is BEBWVDQOMIGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N6O2.C37H47N7O.C37H47N7.C34H42N8O.C33H41ClN6O.C33H41ClN6/c47-40(36-11-8-14-39(27-36)48-32-35-9-2-1-3-10-35)19-22-41-28-33-15-17-34(18-16-33)31-46(25-23-42-29-37-12-4-6-20-44-37)26-24-43-30-38-13-5-7-21-45-38;1-29-7-6-9-34-32(26-43-37(29)34)15-19-38-25-30-11-13-31(14-12-30)28-44(22-20-39-27-33-8-2-4-17-40-33)23-21-42-36(16-24-45)35-10-3-5-18-41-35;1-3-43(29-35-11-5-7-19-41-35)23-24-44(22-21-39-27-34-10-4-6-18-40-34)28-32-15-13-31(14-16-32)25-38-20-17-33-26-42-37-30(2)9-8-12-36(33)37;43-22-15-31(30-8-4-6-17-38-30)39-19-21-42(20-18-35-24-29-7-3-5-16-37-29)26-28-13-11-27(12-14-28)23-36-25-34-40-32-9-1-2-10-33(32)41-34;34-30-7-5-6-29(22-30)33(41)14-17-35-23-27-10-12-28(13-11-27)26-40(20-18-36-24-31-8-1-3-15-38-31)21-19-37-25-32-9-2-4-16-39-32;1-27(22-37-25-33-10-3-5-17-39-33)40(20-19-36-24-32-9-2-4-16-38-32)26-30-13-11-29(12-14-30)23-35-18-15-28-7-6-8-31(34)21-28/h1-18,20-21,27,40-43,47H,19,22-26,28-32H2;2-14,17-18,26,36,38-39,42-43,45H,15-16,19-25,27-28H2,1H3;4-16,18-19,26,38-39,42H,3,17,20-25,27-29H2,1-2H3;1-14,16-17,31,35-36,39,43H,15,18-26H2,(H,40,41);1-13,15-16,22,33,35-37,41H,14,17-21,23-26H2;2-14,16-17,21,27,35-37H,15,18-20,22-26H2,1H3.
What are the key properties of 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol?
3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol has a molecular weight of 3549.66 g/mol, XLogP of 30.17, 111 rotatable bonds, 24 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-chlorophenyl)propan-1-ol;3-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-(3-phenylmethoxyphenyl)propan-1-ol;2-N-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-1-N-(pyridin-2-ylmethyl)-2-N-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,2-diamine;N'-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine;3-[2-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethylamino]-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 157320320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).