(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide

C127H107Cl2F4N27O4 — CID 159012966

IUPAC(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C1=Nc2cc(-c3ccncc3)cnc2C1.CC(=O)N[C@@H](Cc1cccc(C#N)c1)C1=Nc2cc(-c3ccncc3)cnc2C1.CC(=O)N[C@@H](Cc1cccc(C)c1)c1nc2ncc(-c3ccncc3)cc2[nH]1.CC(=O)N[C@H](Cc1ccc(Cl)cc1)C1=Nc2cc(-c3ccncc3)cnc2C1.NC(c1nc2ncc(-c3ccncc3)cc2[nH]1)c1ccc(F)cc1F.N[C@H](Cc1ccc(Cl)cc1)C1=Nc2cc(-c3ccncc3)cnc2C1
InChIInChI=1S/C23H19N5O.C22H19ClN4O.C22H18F2N4O.C22H21N5O.C20H17ClN4.C18H13F2N5/c1-15(29)27-21(10-16-3-2-4-17(9-16)13-24)23-12-20-22(28-23)11-19(14-26-20)18-5-7-25-8-6-18;1-14(28)26-20(10-15-2-4-18(23)5-3-15)22-12-19-21(27-22)11-17(13-25-19)16-6-8-24-9-7-16;1-13(29)27-20(9-14-2-3-17(23)18(24)8-14)22-11-19-21(28-22)10-16(12-26-19)15-4-6-25-7-5-15;1-14-4-3-5-16(10-14)11-19(25-15(2)28)22-26-20-12-18(13-24-21(20)27-22)17-6-8-23-9-7-17;21-16-3-1-13(2-4-16)9-17(22)18-11-19-20(25-18)10-15(12-24-19)14-5-7-23-8-6-14;19-12-1-2-13(14(20)8-12)16(21)18-24-15-7-11(9-23-17(15)25-18)10-3-5-22-6-4-10/h2-9,11,14,21H,10,12H2,1H3,(H,27,29);2-9,11,13,20H,10,12H2,1H3,(H,26,28);2-8,10,12,20H,9,11H2,1H3,(H,27,29);3-10,12-13,19H,11H2,1-2H3,(H,25,28)(H,24,26,27);1-8,10,12,17H,9,11,22H2;1-9,16H,21H2,(H,23,24,25)/t21-;2*20-;19-;17-;/m01001./s1
InChIKeyJSSQXSBKBURYKW-JYLSBZNWSA-N
MW2222.34 g/mol
LogP22.45
Rot. Bonds27

About (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide

(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide (PubChem CID 159012966) has the molecular formula C127H107Cl2F4N27O4 and a molecular weight of 2222.34 g/mol. Its IUPAC name is (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
PubChem CID159012966
Molecular FormulaC127H107Cl2F4N27O4
Molecular Weight2222.34 g/mol
Exact Mass2219.83
IUPAC Name(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C1=Nc2cc(-c3ccncc3)cnc2C1.CC(=O)N[C@@H](Cc1cccc(C#N)c1)C1=Nc2cc(-c3ccncc3)cnc2C1.CC(=O)N[C@@H](Cc1cccc(C)c1)c1nc2ncc(-c3ccncc3)cc2[nH]1.CC(=O)N[C@H](Cc1ccc(Cl)cc1)C1=Nc2cc(-c3ccncc3)cnc2C1.NC(c1nc2ncc(-c3ccncc3)cc2[nH]1)c1ccc(F)cc1F.N[C@H](Cc1ccc(Cl)cc1)C1=Nc2cc(-c3ccncc3)cnc2C1
InChIInChI=1S/C23H19N5O.C22H19ClN4O.C22H18F2N4O.C22H21N5O.C20H17ClN4.C18H13F2N5/c1-15(29)27-21(10-16-3-2-4-17(9-16)13-24)23-12-20-22(28-23)11-19(14-26-20)18-5-7-25-8-6-18;1-14(28)26-20(10-15-2-4-18(23)5-3-15)22-12-19-21(27-22)11-17(13-25-19)16-6-8-24-9-7-16;1-13(29)27-20(9-14-2-3-17(23)18(24)8-14)22-11-19-21(28-22)10-16(12-26-19)15-4-6-25-7-5-15;1-14-4-3-5-16(10-14)11-19(25-15(2)28)22-26-20-12-18(13-24-21(20)27-22)17-6-8-23-9-7-17;21-16-3-1-13(2-4-16)9-17(22)18-11-19-20(25-18)10-15(12-24-19)14-5-7-23-8-6-14;19-12-1-2-13(14(20)8-12)16(21)18-24-15-7-11(9-23-17(15)25-18)10-3-5-22-6-4-10/h2-9,11,14,21H,10,12H2,1H3,(H,27,29);2-9,11,13,20H,10,12H2,1H3,(H,26,28);2-8,10,12,20H,9,11H2,1H3,(H,27,29);3-10,12-13,19H,11H2,1-2H3,(H,25,28)(H,24,26,27);1-8,10,12,17H,9,11,22H2;1-9,16H,21H2,(H,23,24,25)/t21-;2*20-;19-;17-;/m01001./s1
InChIKeyJSSQXSBKBURYKW-JYLSBZNWSA-N
XLogP22.45
TPSA453.71 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002222.34
LogP ≤ 522.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[(3S)-1-(12-chloro-4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-13-yl)pyrrolidin-3-yl]-2-methylpropanamide;12-chloro-13-[(3S)-3-(2,2-difluoroethylamino)pyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile;12-chloro-13-[(3S)-3-(2-fluoroethylamino)pyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile;13-[(3S)-3-(2,2,2-trifluoroethylamino)pyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 157250251
3-chloro-1H-indole;3-chloro-1H-pyrrolo[2,3-b]pyridine;3-chloro-1H-pyrrolo[3,2-b]pyridine;3-chloro-1H-pyrrolo[2,3-c]pyridine;3-chloro-1H-pyrrolo[3,2-c]pyridine;3-cyclopropyl-1H-benzimidazol-2-one;3-(difluoromethyl)-1H-indole;3-ethynyl-1H-indole;3-fluoro-1H-pyrrolo[2,3-b]pyridine;3-fluoro-1H-pyrrolo[3,2-b]pyridine;3-fluoro-1H-pyrrolo[2,3-c]pyridine;3-fluoro-1H-pyrrolo[3,2-c]pyridine;1H-indole;1H-indole-3-carbonitrile;bis(3-methyl-1H-benzimidazol-2-one);1-methyl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;1-methyl-3H-imidazo[4,5-c]pyridin-2-one;3-methyl-1H-imidazo[4,5-c]pyridin-2-one;3-methyl-1H-indole;3-(trideuteriomethyl)-1H-indole;3-(trifluoromethyl)-1H-indole
CID 157589639
N-benzyl-4-propan-2-ylpyridin-2-amine;2-(cyclohexylmethyl)-6-methyl-4-propan-2-ylpyridine;6-(cyclohexylmethyl)-4-propan-2-yl-1H-pyridin-2-one;N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridin-2-amine;bis(2-methyl-6-(2-phenylethyl)-4-propan-2-ylpyridine);6-methyl-4-propan-2-ylpyridin-2-amine;6-(2-phenylethyl)-4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;bis(6-(2-phenylethyl)-4-propan-2-yl-1H-pyridin-2-one);6-(2-phenylethyl)-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(2-phenylethyl)-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(4-propan-2-yl-1H-pyridin-2-one);4-propan-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 160451550
(2S)-2-(4-chlorophenyl)-1-[4-[5-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;(2S)-2-(4-chlorophenyl)-1-[4-[5-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;3-[4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)-1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]propan-1-one
CID 160731428
3-[2-amino-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethyl]benzonitrile;2-(4-chlorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-2-phenyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;(1R)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 160808454
N-benzyl-4-propan-2-ylpyridin-2-amine;2-(cyclohexylmethyl)-6-methyl-4-propan-2-ylpyridine;6-(cyclohexylmethyl)-4-propan-2-yl-1H-pyridin-2-one;N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridin-2-amine;bis(2-methyl-6-(2-phenylethyl)-4-propan-2-ylpyridine);6-(2-phenylethyl)-4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;bis(6-(2-phenylethyl)-4-propan-2-yl-1H-pyridin-2-one);6-(2-phenylethyl)-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(2-phenylethyl)-4-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 161048295
N-[(3S)-1-(12-chloro-4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-13-yl)pyrrolidin-3-yl]-2-methylpropanamide;12-chloro-13-[(3S)-3-(2,2-difluoroethylamino)pyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile;12-chloro-13-[(3S)-3-(3-fluoropropylamino)pyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile;13-[(3S)-3-(2,2,2-trifluoroethylamino)pyrrolidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 161192095
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
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N-benzyl-4-propan-2-ylpyridin-2-amine;2-(cyclohexylmethyl)-6-methyl-4-propan-2-ylpyridine;6-(cyclohexylmethyl)-4-propan-2-yl-1H-pyridin-2-one;N-[(4-fluorophenyl)methyl]-4-propan-2-ylpyridin-2-amine;bis(2-methyl-6-(2-phenylethyl)-4-propan-2-ylpyridine);bis(6-methyl-4-propan-2-ylpyridin-2-amine);6-(2-phenylethyl)-4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;bis(6-(2-phenylethyl)-4-propan-2-yl-1H-pyridin-2-one);6-(2-phenylethyl)-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-(2-phenylethyl)-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(4-propan-2-yl-1H-pyridin-2-one);4-propan-2-yl-N-(pyridin-2-ylmethyl)pyridin-2-amine;4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
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6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-methylphenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
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3-(1H-benzimidazol-2-yl)-1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]butan-1-one;3-(1H-benzimidazol-2-yl)-1-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]butan-1-one;N-(1H-benzimidazol-2-ylmethyl)-1-(1H-indol-3-ylmethyl)-N-methylpiperidine-4-carboxamide;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(6-fluoro-1H-benzimidazol-2-yl)propan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]propan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]propan-1-one;3-(6-fluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]propan-1-one
CID 157660410
N-benzyl-3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline;5-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-fluoro-N-[(1S)-1-phenylethyl]aniline;3-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide
CID 157695643

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
The IUPAC name of (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide (CID 159012966) is (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide.
What is the SMILES notation for (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
The canonical SMILES for (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide is CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C1=Nc2cc(-c3ccncc3)cnc2C1.CC(=O)N[C@@H](Cc1cccc(C#N)c1)C1=Nc2cc(-c3ccncc3)cnc2C1.CC(=O)N[C@@H](Cc1cccc(C)c1)c1nc2ncc(-c3ccncc3)cc2[nH]1.CC(=O)N[C@H](Cc1ccc(Cl)cc1)C1=Nc2cc(-c3ccncc3)cnc2C1.NC(c1nc2ncc(-c3ccncc3)cc2[nH]1)c1ccc(F)cc1F.N[C@H](Cc1ccc(Cl)cc1)C1=Nc2cc(-c3ccncc3)cnc2C1.
What is the InChIKey of (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
The InChIKey is JSSQXSBKBURYKW-JYLSBZNWSA-N. The full InChI is InChI=1S/C23H19N5O.C22H19ClN4O.C22H18F2N4O.C22H21N5O.C20H17ClN4.C18H13F2N5/c1-15(29)27-21(10-16-3-2-4-17(9-16)13-24)23-12-20-22(28-23)11-19(14-26-20)18-5-7-25-8-6-18;1-14(28)26-20(10-15-2-4-18(23)5-3-15)22-12-19-21(27-22)11-17(13-25-19)16-6-8-24-9-7-16;1-13(29)27-20(9-14-2-3-17(23)18(24)8-14)22-11-19-21(28-22)10-16(12-26-19)15-4-6-25-7-5-15;1-14-4-3-5-16(10-14)11-19(25-15(2)28)22-26-20-12-18(13-24-21(20)27-22)17-6-8-23-9-7-17;21-16-3-1-13(2-4-16)9-17(22)18-11-19-20(25-18)10-15(12-24-19)14-5-7-23-8-6-14;19-12-1-2-13(14(20)8-12)16(21)18-24-15-7-11(9-23-17(15)25-18)10-3-5-22-6-4-10/h2-9,11,14,21H,10,12H2,1H3,(H,27,29);2-9,11,13,20H,10,12H2,1H3,(H,26,28);2-8,10,12,20H,9,11H2,1H3,(H,27,29);3-10,12-13,19H,11H2,1-2H3,(H,25,28)(H,24,26,27);1-8,10,12,17H,9,11,22H2;1-9,16H,21H2,(H,23,24,25)/t21-;2*20-;19-;17-;/m01001./s1.
What are the key properties of (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide?
(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide has a molecular weight of 2222.34 g/mol, XLogP of 22.45, 27 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethanamine;N-[(1R)-2-(4-chlorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-cyanophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;(2,4-difluorophenyl)-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine;N-[(1S)-2-(3,4-difluorophenyl)-1-(6-pyridin-4-yl-3H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]acetamide;N-[(1S)-2-(3-methylphenyl)-1-(6-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]acetamide is sourced from PubChem (CID 159012966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).