About [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
[(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (PubChem CID 159198202) has the molecular formula C203H256Cl2N38O3
and a molecular weight of 3347.45 g/mol. Its IUPAC name is [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.
Frequently Asked Questions
What is the IUPAC name of [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine (CID 159198202) is [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is CCN(CCc1c[nH]c2c(C)cccc12)Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.CCN(CCc1cccc(Cl)c1)Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.Clc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)C3.OC[C@@H]1CCCN1Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.OC[C@H](Cc1ccccc1)NCc1ccc(-c2ccc(CN(CCNCc3ccccn3)CCNCc3ccccn3)cc2)cc1.OC[C@H]1CCCN1Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.
What is the InChIKey of [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is KOYAAUGRXZKEJX-DRDMHLOPSA-N. The full InChI is InChI=1S/C39H46N6O.C37H47N7.C35H40ClN7.C34H43ClN6.2C29H40N6O/c46-31-39(26-32-8-2-1-3-9-32)44-27-33-12-16-35(17-13-33)36-18-14-34(15-19-36)30-45(24-22-40-28-37-10-4-6-20-42-37)25-23-41-29-38-11-5-7-21-43-38;1-3-43(22-17-33-25-42-37-30(2)9-8-12-36(33)37)28-31-13-15-32(16-14-31)29-44(23-20-38-26-34-10-4-6-18-40-34)24-21-39-27-35-11-5-7-19-41-35;36-29-11-12-34-33(21-29)32-13-18-43(26-35(32)41-34)25-28-9-7-27(8-10-28)24-42(19-16-37-22-30-5-1-3-14-39-30)20-17-38-23-31-6-2-4-15-40-31;1-2-40(21-16-29-8-7-9-32(35)24-29)27-30-12-14-31(15-13-30)28-41(22-19-36-25-33-10-3-5-17-38-33)23-20-37-26-34-11-4-6-18-39-34;2*36-24-29-8-5-17-35(29)23-26-11-9-25(10-12-26)22-34(18-15-30-20-27-6-1-3-13-32-27)19-16-31-21-28-7-2-4-14-33-28/h1-21,39-41,44,46H,22-31H2;4-16,18-19,25,38-39,42H,3,17,20-24,26-29H2,1-2H3;1-12,14-15,21,37-38,41H,13,16-20,22-26H2;3-15,17-18,24,36-37H,2,16,19-23,25-28H2,1H3;2*1-4,6-7,9-14,29-31,36H,5,8,15-24H2/t39-;;;;2*29-/m0...10/s1.
What are the key properties of [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine?
[(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 3347.45 g/mol, XLogP of 27.69, 99 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 159198202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).