methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine

C133H121N35O6S2 — CID 158264152

IUPACmethyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine
SMILESCOC(=O)c1ccnc(CN(Cc2cc(C(=O)OC)ccn2)Cc2cccc(-c3ncc(-c4ccc(C)cc4)s3)n2)c1.Cc1ccc(-c2ccc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)o2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4cn[nH]n4)Cc4cn[nH]n4)n3)s2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)[nH]2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)o2)cc1
InChIInChI=1S/C32H29N5O4S.C27H24N6O.C26H24N8.C26H23N7O.C22H21N9S/c1-21-7-9-22(10-8-21)29-17-35-30(42-29)28-6-4-5-25(36-28)18-37(19-26-15-23(11-13-33-26)31(38)40-2)20-27-16-24(12-14-34-27)32(39)41-3;1-20-7-9-21(10-8-20)24-11-12-25(34-24)23-6-2-5-22(32-23)17-33(18-26-28-13-3-14-29-26)19-27-30-15-4-16-31-27;1-19-7-9-20(10-8-19)23-15-31-26(33-23)22-6-2-5-21(32-22)16-34(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-19-7-9-20(10-8-19)23-15-31-26(34-23)22-6-2-5-21(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-15-5-7-16(8-6-15)21-11-23-22(32-21)20-4-2-3-17(26-20)12-31(13-18-9-24-29-27-18)14-19-10-25-30-28-19/h4-17H,18-20H2,1-3H3;2-16H,17-19H2,1H3;2-15H,16-18H2,1H3,(H,31,33);2-15H,16-18H2,1H3;2-11H,12-14H2,1H3,(H,24,27,29)(H,25,28,30)
InChIKeyGIFQQZJCRHKKPN-UHFFFAOYSA-N
MW2369.80 g/mol
LogP23.19
Rot. Bonds42

About methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine

methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine (PubChem CID 158264152) has the molecular formula C133H121N35O6S2 and a molecular weight of 2369.80 g/mol. Its IUPAC name is methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Namemethyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine
PubChem CID158264152
Molecular FormulaC133H121N35O6S2
Molecular Weight2369.80 g/mol
Exact Mass2367.97
IUPAC Namemethyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine
SMILESCOC(=O)c1ccnc(CN(Cc2cc(C(=O)OC)ccn2)Cc2cccc(-c3ncc(-c4ccc(C)cc4)s3)n2)c1.Cc1ccc(-c2ccc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)o2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4cn[nH]n4)Cc4cn[nH]n4)n3)s2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)[nH]2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)o2)cc1
InChIInChI=1S/C32H29N5O4S.C27H24N6O.C26H24N8.C26H23N7O.C22H21N9S/c1-21-7-9-22(10-8-21)29-17-35-30(42-29)28-6-4-5-25(36-28)18-37(19-26-15-23(11-13-33-26)31(38)40-2)20-27-16-24(12-14-34-27)32(39)41-3;1-20-7-9-21(10-8-20)24-11-12-25(34-24)23-6-2-5-22(32-23)17-33(18-26-28-13-3-14-29-26)19-27-30-15-4-16-31-27;1-19-7-9-20(10-8-19)23-15-31-26(33-23)22-6-2-5-21(32-22)16-34(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-19-7-9-20(10-8-19)23-15-31-26(34-23)22-6-2-5-21(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-15-5-7-16(8-6-15)21-11-23-22(32-21)20-4-2-3-17(26-20)12-31(13-18-9-24-29-27-18)14-19-10-25-30-28-19/h4-17H,18-20H2,1-3H3;2-16H,17-19H2,1H3;2-15H,16-18H2,1H3,(H,31,33);2-15H,16-18H2,1H3;2-11H,12-14H2,1H3,(H,24,27,29)(H,25,28,30)
InChIKeyGIFQQZJCRHKKPN-UHFFFAOYSA-N
XLogP23.19
TPSA490.48 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002369.80
LogP ≤ 523.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Analyze methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-oxazol-4-yl]-3-methoxypyridin-2-amine;5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-thiazol-5-yl)pyrazin-2-amine;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
CID 157731774
cumene;2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;1-ethyl-4-propan-2-ylbenzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-5-propan-2-ylpyridine);4-propan-2-ylbenzoic acid;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157756317
2-[2-[3-(1,1-difluoroethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-ethynylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methyl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;3-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 157761382
CID 157902277
CID 157902277
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
CID 161180427
CID 161180427
CID 161331998
CID 161331998
CID 161354559
CID 161354559
CID 161434547
CID 161434547
2-Amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methylpyrimidin-5-yl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-4-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-thiophen-3-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161609887
1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
CID 167656030

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
The IUPAC name of methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine (CID 158264152) is methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine.
What is the SMILES notation for methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
The canonical SMILES for methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine is COC(=O)c1ccnc(CN(Cc2cc(C(=O)OC)ccn2)Cc2cccc(-c3ncc(-c4ccc(C)cc4)s3)n2)c1.Cc1ccc(-c2ccc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)o2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4cn[nH]n4)Cc4cn[nH]n4)n3)s2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)[nH]2)cc1.Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)o2)cc1.
What is the InChIKey of methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
The InChIKey is GIFQQZJCRHKKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O4S.C27H24N6O.C26H24N8.C26H23N7O.C22H21N9S/c1-21-7-9-22(10-8-21)29-17-35-30(42-29)28-6-4-5-25(36-28)18-37(19-26-15-23(11-13-33-26)31(38)40-2)20-27-16-24(12-14-34-27)32(39)41-3;1-20-7-9-21(10-8-20)24-11-12-25(34-24)23-6-2-5-22(32-23)17-33(18-26-28-13-3-14-29-26)19-27-30-15-4-16-31-27;1-19-7-9-20(10-8-19)23-15-31-26(33-23)22-6-2-5-21(32-22)16-34(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-19-7-9-20(10-8-19)23-15-31-26(34-23)22-6-2-5-21(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-15-5-7-16(8-6-15)21-11-23-22(32-21)20-4-2-3-17(26-20)12-31(13-18-9-24-29-27-18)14-19-10-25-30-28-19/h4-17H,18-20H2,1-3H3;2-16H,17-19H2,1H3;2-15H,16-18H2,1H3,(H,31,33);2-15H,16-18H2,1H3;2-11H,12-14H2,1H3,(H,24,27,29)(H,25,28,30).
What are the key properties of methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine has a molecular weight of 2369.80 g/mol, XLogP of 23.19, 42 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-methoxycarbonyl-2-pyridinyl)methyl-[[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(4-methylphenyl)furan-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(2H-triazol-4-ylmethyl)methanamine is sourced from PubChem (CID 158264152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).