N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide

C114H127N35O7 — CID 158247359

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2CCCN2c2ccnc(-n3ccnc3)n2)cc1OC.Cc1cn(C)c2ccc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc12.Cc1cn(C)c2ccc(CNC(=O)[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc12.Cn1ccc2ccc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc21.Cn1cnc2cc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)ccc21
InChIInChI=1S/C24H27N7O.2C23H25N7O.C22H24N8O.C22H26N6O3/c1-17-15-29(2)21-6-5-18(12-20(17)21)14-27-23(32)13-19-4-3-10-31(19)22-7-8-26-24(28-22)30-11-9-25-16-30;1-16-14-28(2)19-6-5-17(12-18(16)19)13-26-22(31)20-4-3-10-30(20)21-7-8-25-23(27-21)29-11-9-24-15-29;1-28-11-7-18-5-4-17(13-20(18)28)15-26-22(31)14-19-3-2-10-30(19)21-6-8-25-23(27-21)29-12-9-24-16-29;1-28-15-26-18-11-16(4-5-19(18)28)13-25-21(31)12-17-3-2-9-30(17)20-6-7-24-22(27-20)29-10-8-23-14-29;1-30-18-6-5-16(12-19(18)31-2)14-25-21(29)13-17-4-3-10-28(17)20-7-8-24-22(26-20)27-11-9-23-15-27/h5-9,11-12,15-16,19H,3-4,10,13-14H2,1-2H3,(H,27,32);5-9,11-12,14-15,20H,3-4,10,13H2,1-2H3,(H,26,31);4-9,11-13,16,19H,2-3,10,14-15H2,1H3,(H,26,31);4-8,10-11,14-15,17H,2-3,9,12-13H2,1H3,(H,25,31);5-9,11-12,15,17H,3-4,10,13-14H2,1-2H3,(H,25,29)/t19-;20-;19-;2*17-/m11111/s1
InChIKeyGGHBLTBXAUUDEZ-CYJYBXFDSA-N
MW2099.51 g/mol
LogP13.29
Rot. Bonds31

About N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide (PubChem CID 158247359) has the molecular formula C114H127N35O7 and a molecular weight of 2099.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide
PubChem CID158247359
Molecular FormulaC114H127N35O7
Molecular Weight2099.51 g/mol
Exact Mass2098.07
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C[C@H]2CCCN2c2ccnc(-n3ccnc3)n2)cc1OC.Cc1cn(C)c2ccc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc12.Cc1cn(C)c2ccc(CNC(=O)[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc12.Cn1ccc2ccc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc21.Cn1cnc2cc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)ccc21
InChIInChI=1S/C24H27N7O.2C23H25N7O.C22H24N8O.C22H26N6O3/c1-17-15-29(2)21-6-5-18(12-20(17)21)14-27-23(32)13-19-4-3-10-31(19)22-7-8-26-24(28-22)30-11-9-25-16-30;1-16-14-28(2)19-6-5-17(12-18(16)19)13-26-22(31)20-4-3-10-30(20)21-7-8-25-23(27-21)29-11-9-24-15-29;1-28-11-7-18-5-4-17(13-20(18)28)15-26-22(31)14-19-3-2-10-30(19)21-6-8-25-23(27-21)29-12-9-24-16-29;1-28-15-26-18-11-16(4-5-19(18)28)13-25-21(31)12-17-3-2-9-30(17)20-6-7-24-22(27-20)29-10-8-23-14-29;1-30-18-6-5-16(12-19(18)31-2)14-25-21(29)13-17-4-3-10-28(17)20-7-8-24-22(26-20)27-11-9-23-15-27/h5-9,11-12,15-16,19H,3-4,10,13-14H2,1-2H3,(H,27,32);5-9,11-12,14-15,20H,3-4,10,13H2,1-2H3,(H,26,31);4-9,11-13,16,19H,2-3,10,14-15H2,1H3,(H,26,31);4-8,10-11,14-15,17H,2-3,9,12-13H2,1H3,(H,25,31);5-9,11-12,15,17H,3-4,10,13-14H2,1-2H3,(H,25,29)/t19-;20-;19-;2*17-/m11111/s1
InChIKeyGGHBLTBXAUUDEZ-CYJYBXFDSA-N
XLogP13.29
TPSA430.77 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.51
LogP ≤ 513.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide with MolForge

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Related Compounds

Indolicidin & Diaveridine
CID 16130478
N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 157122600
2-[[6-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-(3,3-dimethylbutyl)-5-fluoropyrimidin-4-amine;2-[[6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[5-fluoro-6-(2-quinolin-6-ylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-4,4-dimethylpentanamide
CID 159666779
[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 161313890
(5R)-5-[4-[1-(cyclopropylmethyl)-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrrolo[2,3-b]pyridin-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrimidin-2-ylphenyl)imidazolidine-2,4-dione
CID 161728454
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]aniline;N-[4-methyl-3-[(5-methyl-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-[[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]anilino]methyl]phenyl]acetamide;N-[4-methyl-3-[(4-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161741749
N-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-4-[1-[3-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]-N-propylbutanamide
CID 148294486
4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-[6-amino-2-(2-methoxyphenyl)purin-9-yl]butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-[6-amino-2-(3-methoxyphenyl)purin-9-yl]butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-[6-amino-2-(4-methoxyphenyl)purin-9-yl]butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-[6-amino-2-(2-methylphenyl)purin-9-yl]butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-[6-amino-2-(3-methylphenyl)purin-9-yl]butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-[6-amino-2-(4-methylphenyl)purin-9-yl]butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate
CID 157052422
4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;methane;1-[(2S)-2-[8-methyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;4-[8-methyl-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[5-methyl-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 157077282
CID 157175921
CID 157175921
4-[2-(1,3-benzodioxol-5-yl)-6-methylbenzimidazol-1-yl]-N-cyclohexylpyrimidin-2-amine;4-[2-(1,3-benzodioxol-5-yl)-6-methylbenzimidazol-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 157220993
sodium;N,N-di(ethyl)propan-2-amine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrimidine;1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1,3-dimethyl-6-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;1,2-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1,3-dimethyl-6-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]-6-propan-2-ylbenzimidazole;1-methyl-5-(5-propan-2-ylpyridazin-3-yl)indazole;4-propan-2-yl-2H-pyrimidin-2-ide
CID 157290626

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide (CID 158247359) is N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide is COc1ccc(CNC(=O)C[C@H]2CCCN2c2ccnc(-n3ccnc3)n2)cc1OC.Cc1cn(C)c2ccc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc12.Cc1cn(C)c2ccc(CNC(=O)[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc12.Cn1ccc2ccc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)cc21.Cn1cnc2cc(CNC(=O)C[C@H]3CCCN3c3ccnc(-n4ccnc4)n3)ccc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide?
The InChIKey is GGHBLTBXAUUDEZ-CYJYBXFDSA-N. The full InChI is InChI=1S/C24H27N7O.2C23H25N7O.C22H24N8O.C22H26N6O3/c1-17-15-29(2)21-6-5-18(12-20(17)21)14-27-23(32)13-19-4-3-10-31(19)22-7-8-26-24(28-22)30-11-9-25-16-30;1-16-14-28(2)19-6-5-17(12-18(16)19)13-26-22(31)20-4-3-10-30(20)21-7-8-25-23(27-21)29-11-9-24-15-29;1-28-11-7-18-5-4-17(13-20(18)28)15-26-22(31)14-19-3-2-10-30(19)21-6-8-25-23(27-21)29-12-9-24-16-29;1-28-15-26-18-11-16(4-5-19(18)28)13-25-21(31)12-17-3-2-9-30(17)20-6-7-24-22(27-20)29-10-8-23-14-29;1-30-18-6-5-16(12-19(18)31-2)14-25-21(29)13-17-4-3-10-28(17)20-7-8-24-22(26-20)27-11-9-23-15-27/h5-9,11-12,15-16,19H,3-4,10,13-14H2,1-2H3,(H,27,32);5-9,11-12,14-15,20H,3-4,10,13H2,1-2H3,(H,26,31);4-9,11-13,16,19H,2-3,10,14-15H2,1H3,(H,26,31);4-8,10-11,14-15,17H,2-3,9,12-13H2,1H3,(H,25,31);5-9,11-12,15,17H,3-4,10,13-14H2,1-2H3,(H,25,29)/t19-;20-;19-;2*17-/m11111/s1.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide has a molecular weight of 2099.51 g/mol, XLogP of 13.29, 31 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;(2R)-N-[(1,3-dimethylindol-5-yl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide;N-[(1,3-dimethylindol-5-yl)methyl]-2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide;2-[(2R)-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N-[(1-methylindol-6-yl)methyl]acetamide is sourced from PubChem (CID 158247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).