2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide

C134H148F7N23O6 — CID 160682063

IUPAC2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1CN1[C@H]2CC[C@H](CC(=O)N3CCC4=C(C3)C(c3ccnc(C)c3)=NC4)[C@@H]1CC2.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CN(Cc4c(F)cccc4F)CCC2F)CC3)ccn1.Cc1ccc([C@@H]2CN(C)CC2NC(=O)N2CCC3=C(C2)C(c2ccncc2)=NC3)cc1.Cc1ccc([C@@H]2CNCC2NC(=O)N2CCC3=C(C2)C(c2ccncc2)=NC3)cc1.O=C(CC1CN(Cc2c(F)cccc2F)CCC1F)N1CCC2=C(C1)C(c1ccc3nccn3c1)=NC2
InChIInChI=1S/C30H35FN4O2.C28H28F3N5O.C27H29F3N4O.C25H29N5O.C24H27N5O/c1-19-14-21(10-12-32-19)30-24-17-34(13-11-22(24)16-33-30)29(36)15-20-6-7-23-8-9-27(20)35(23)18-25-26(31)4-3-5-28(25)37-2;29-23-7-9-34(16-22-24(30)2-1-3-25(22)31)14-20(23)12-27(37)36-10-6-18-13-33-28(21(18)17-36)19-4-5-26-32-8-11-35(26)15-19;1-17-11-18(5-8-31-17)27-21-16-34(10-6-19(21)13-32-27)26(35)12-20-14-33(9-7-23(20)28)15-22-24(29)3-2-4-25(22)30;1-17-3-5-18(6-4-17)21-14-29(2)16-23(21)28-25(31)30-12-9-20-13-27-24(22(20)15-30)19-7-10-26-11-8-19;1-16-2-4-17(5-3-16)20-13-26-14-22(20)28-24(30)29-11-8-19-12-27-23(21(19)15-29)18-6-9-25-10-7-18/h3-5,10,12,14,20,23,27H,6-9,11,13,15-18H2,1-2H3;1-5,8,11,15,20,23H,6-7,9-10,12-14,16-17H2;2-5,8,11,20,23H,6-7,9-10,12-16H2,1H3;3-8,10-11,21,23H,9,12-16H2,1-2H3,(H,28,31);2-7,9-10,20,22,26H,8,11-15H2,1H3,(H,28,30)/t20-,23+,27+;;;21-,23?;20-,22?/m1..00/s1
InChIKeyROGVCYSQOPQGAF-DAOFOXFESA-N
MW2309.80 g/mol
LogP18.81
Rot. Bonds22

About 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide

2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide (PubChem CID 160682063) has the molecular formula C134H148F7N23O6 and a molecular weight of 2309.80 g/mol. Its IUPAC name is 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
PubChem CID160682063
Molecular FormulaC134H148F7N23O6
Molecular Weight2309.80 g/mol
Exact Mass2308.19
IUPAC Name2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1CN1[C@H]2CC[C@H](CC(=O)N3CCC4=C(C3)C(c3ccnc(C)c3)=NC4)[C@@H]1CC2.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CN(Cc4c(F)cccc4F)CCC2F)CC3)ccn1.Cc1ccc([C@@H]2CN(C)CC2NC(=O)N2CCC3=C(C2)C(c2ccncc2)=NC3)cc1.Cc1ccc([C@@H]2CNCC2NC(=O)N2CCC3=C(C2)C(c2ccncc2)=NC3)cc1.O=C(CC1CN(Cc2c(F)cccc2F)CCC1F)N1CCC2=C(C1)C(c1ccc3nccn3c1)=NC2
InChIInChI=1S/C30H35FN4O2.C28H28F3N5O.C27H29F3N4O.C25H29N5O.C24H27N5O/c1-19-14-21(10-12-32-19)30-24-17-34(13-11-22(24)16-33-30)29(36)15-20-6-7-23-8-9-27(20)35(23)18-25-26(31)4-3-5-28(25)37-2;29-23-7-9-34(16-22-24(30)2-1-3-25(22)31)14-20(23)12-27(37)36-10-6-18-13-33-28(21(18)17-36)19-4-5-26-32-8-11-35(26)15-19;1-17-11-18(5-8-31-17)27-21-16-34(10-6-19(21)13-32-27)26(35)12-20-14-33(9-7-23(20)28)15-22-24(29)3-2-4-25(22)30;1-17-3-5-18(6-4-17)21-14-29(2)16-23(21)28-25(31)30-12-9-20-13-27-24(22(20)15-30)19-7-10-26-11-8-19;1-16-2-4-17(5-3-16)20-13-26-14-22(20)28-24(30)29-11-8-19-12-27-23(21(19)15-29)18-6-9-25-10-7-18/h3-5,10,12,14,20,23,27H,6-9,11,13,15-18H2,1-2H3;1-5,8,11,15,20,23H,6-7,9-10,12-14,16-17H2;2-5,8,11,20,23H,6-7,9-10,12-16H2,1H3;3-8,10-11,21,23H,9,12-16H2,1-2H3,(H,28,31);2-7,9-10,20,22,26H,8,11-15H2,1H3,(H,28,30)/t20-,23+,27+;;;21-,23?;20-,22?/m1..00/s1
InChIKeyROGVCYSQOPQGAF-DAOFOXFESA-N
XLogP18.81
TPSA290.49 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002309.80
LogP ≤ 518.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide with MolForge

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Related Compounds

3-[(4-Fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-3-[2-[4-[[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 53896755
3-[(4-Fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-3-[2-[4-[[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54114261
3-[(4-Fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]-3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 54204253
4-[1-[7-[4-(aminomethyl)-3-fluorophenyl]-2-phenylimidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-yl]-N-[[2-fluoro-4-[2-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
CID 139356610
2-(benzimidazol-1-yl)-7-[5-[5-(benzimidazol-1-yl)-1-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-oxoimidazo[4,5-b]pyridin-3-yl]-5,6,7,8-tetrahydroquinolin-7-yl]-9-(4-oxocyclohexyl)purin-8-one
CID 143306744
4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1,2-dimethylcyclobutane
CID 145113953
5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide
CID 155180876
2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 157123825
2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-phenylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 157242551
7-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-6-methoxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-6-propan-2-yloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(6-methoxy-2-methyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157449834
1-[3-[7-(4-Amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;5,5-difluoro-1-[3-propan-2-yloxy-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]hexan-2-one;1-[3-[7-(5,6-dimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(2,6-dimethylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
CID 157538439

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide (CID 160682063) is 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide is COc1cccc(F)c1CN1[C@H]2CC[C@H](CC(=O)N3CCC4=C(C3)C(c3ccnc(C)c3)=NC4)[C@@H]1CC2.Cc1cc(C2=NCC3=C2CN(C(=O)CC2CN(Cc4c(F)cccc4F)CCC2F)CC3)ccn1.Cc1ccc([C@@H]2CN(C)CC2NC(=O)N2CCC3=C(C2)C(c2ccncc2)=NC3)cc1.Cc1ccc([C@@H]2CNCC2NC(=O)N2CCC3=C(C2)C(c2ccncc2)=NC3)cc1.O=C(CC1CN(Cc2c(F)cccc2F)CCC1F)N1CCC2=C(C1)C(c1ccc3nccn3c1)=NC2.
What is the InChIKey of 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
The InChIKey is ROGVCYSQOPQGAF-DAOFOXFESA-N. The full InChI is InChI=1S/C30H35FN4O2.C28H28F3N5O.C27H29F3N4O.C25H29N5O.C24H27N5O/c1-19-14-21(10-12-32-19)30-24-17-34(13-11-22(24)16-33-30)29(36)15-20-6-7-23-8-9-27(20)35(23)18-25-26(31)4-3-5-28(25)37-2;29-23-7-9-34(16-22-24(30)2-1-3-25(22)31)14-20(23)12-27(37)36-10-6-18-13-33-28(21(18)17-36)19-4-5-26-32-8-11-35(26)15-19;1-17-11-18(5-8-31-17)27-21-16-34(10-6-19(21)13-32-27)26(35)12-20-14-33(9-7-23(20)28)15-22-24(29)3-2-4-25(22)30;1-17-3-5-18(6-4-17)21-14-29(2)16-23(21)28-25(31)30-12-9-20-13-27-24(22(20)15-30)19-7-10-26-11-8-19;1-16-2-4-17(5-3-16)20-13-26-14-22(20)28-24(30)29-11-8-19-12-27-23(21(19)15-29)18-6-9-25-10-7-18/h3-5,10,12,14,20,23,27H,6-9,11,13,15-18H2,1-2H3;1-5,8,11,15,20,23H,6-7,9-10,12-14,16-17H2;2-5,8,11,20,23H,6-7,9-10,12-16H2,1H3;3-8,10-11,21,23H,9,12-16H2,1-2H3,(H,28,31);2-7,9-10,20,22,26H,8,11-15H2,1H3,(H,28,30)/t20-,23+,27+;;;21-,23?;20-,22?/m1..00/s1.
What are the key properties of 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide?
2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide has a molecular weight of 2309.80 g/mol, XLogP of 18.81, 22 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone;2-[1-[(2,6-difluorophenyl)methyl]-4-fluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(1S,2R,5S)-8-[(2-fluoro-6-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;N-[(4R)-1-methyl-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-[(4R)-4-(4-methylphenyl)pyrrolidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 160682063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).