5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C151H202ClF2N59O11 — CID 165101156

IUPAC5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESC.C.CC(C)C1=NCc2c1nc[nH]c2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ccnc21.CC(C)n1cnc2c1N=C(N)CC2=O.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CNc1ccc2ncn(C(C)C)c2n1.COCCC1CC=Nc2c1ncn2C(C)C.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O.C10H11ClN2.C10H12FN3O.C10H12N4O.C10H14N4.C10H13N3O.C9H11FN4O.2C9H12N4O.C9H12N4.2C9H11N3O.C9H11N3.2C8H11N5O.C8H11N5.2CH4/c1-9(2)15-8-14-11-10(5-7-16-3)4-6-13-12(11)15;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)14-5-13-8-7(9(11)15)3-4-12-10(8)14;1-7(2)14-6-12-8-4-5-9(11-3)13-10(8)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;1-5(2)7-8-6(3-10-7)9(13)12-4-11-8;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;2*1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;;/h6,8-10H,4-5,7H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,12,13,15);3-6H,1-2H3,(H2,11,15);4-7H,1-3H3,(H,11,13);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H,11,12,14);4-5H,3H2,1-2H3,(H2,10,12);3-6H,10H2,1-2H3;4-5H,3H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,10,13);3-7H,1-2H3;2*4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;2*1H4
InChIKeyYINVHCUAUPMRGW-UHFFFAOYSA-N
MW3093.13 g/mol
LogP24.24
Rot. Bonds21

About 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 165101156) has the molecular formula C151H202ClF2N59O11 and a molecular weight of 3093.13 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID165101156
Molecular FormulaC151H202ClF2N59O11
Molecular Weight3093.13 g/mol
Exact Mass3090.67
IUPAC Name5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESC.C.CC(C)C1=NCc2c1nc[nH]c2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ccnc21.CC(C)n1cnc2c1N=C(N)CC2=O.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CNc1ccc2ncn(C(C)C)c2n1.COCCC1CC=Nc2c1ncn2C(C)C.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O.C10H11ClN2.C10H12FN3O.C10H12N4O.C10H14N4.C10H13N3O.C9H11FN4O.2C9H12N4O.C9H12N4.2C9H11N3O.C9H11N3.2C8H11N5O.C8H11N5.2CH4/c1-9(2)15-8-14-11-10(5-7-16-3)4-6-13-12(11)15;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)14-5-13-8-7(9(11)15)3-4-12-10(8)14;1-7(2)14-6-12-8-4-5-9(11-3)13-10(8)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;1-5(2)7-8-6(3-10-7)9(13)12-4-11-8;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;2*1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;;/h6,8-10H,4-5,7H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,12,13,15);3-6H,1-2H3,(H2,11,15);4-7H,1-3H3,(H,11,13);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H,11,12,14);4-5H,3H2,1-2H3,(H2,10,12);3-6H,10H2,1-2H3;4-5H,3H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,10,13);3-7H,1-2H3;2*4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;2*1H4
InChIKeyYINVHCUAUPMRGW-UHFFFAOYSA-N
XLogP24.24
TPSA893.79 Ų
H-Bond Donors13
H-Bond Acceptors61
Rotatable Bonds21
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003093.13
LogP ≤ 524.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

US20240368194, Example 20
CID 167439967
US20240368194, Example 18
CID 167439990
N-[3-(difluoromethyl)-1-[4-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156823401
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 157254683
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 157972751
5-Chloro-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;5-chloro-3-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one;4-[2-chloro-3-(2-methylpropyl)phenyl]-1-methylpyrazole;5-fluoro-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propan-2-ylpyrrolo[2,3-b]pyridine;3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine;1-(1-methylpiperidin-4-yl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;1-(1-methylpyrazol-4-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
CID 158397739
4-[8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 158841991
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 159297492
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 159361405
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone;2,2,2-trifluoroethyl N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]carbamate
CID 160788272
2-[2-(8-chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(8,8-dimethyl-6,7-dihydro-5H-1,7-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-([1,2,4]triazolo[5,1-f][1,6]naphthyridin-2-yl)ethyl]-6,7-dihydro-5H-1,7-naphthyridin-8-one
CID 161321650

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 165101156) is 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is C.C.CC(C)C1=NCc2c1nc[nH]c2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ccnc21.CC(C)n1cnc2c1N=C(N)CC2=O.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CNc1ccc2ncn(C(C)C)c2n1.COCCC1CC=Nc2c1ncn2C(C)C.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is YINVHCUAUPMRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C10H11ClN2.C10H12FN3O.C10H12N4O.C10H14N4.C10H13N3O.C9H11FN4O.2C9H12N4O.C9H12N4.2C9H11N3O.C9H11N3.2C8H11N5O.C8H11N5.2CH4/c1-9(2)15-8-14-11-10(5-7-16-3)4-6-13-12(11)15;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)14-5-13-8-7(9(11)15)3-4-12-10(8)14;1-7(2)14-6-12-8-4-5-9(11-3)13-10(8)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(14)3-7(10)12-9(8)13;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;1-5(2)7-8-6(3-10-7)9(13)12-4-11-8;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;2*1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;;/h6,8-10H,4-5,7H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,12,13,15);3-6H,1-2H3,(H2,11,15);4-7H,1-3H3,(H,11,13);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H,11,12,14);4-5H,3H2,1-2H3,(H2,10,12);3-6H,10H2,1-2H3;4-5H,3H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,10,13);3-7H,1-2H3;2*4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3;2*1H4.
What are the key properties of 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 3093.13 g/mol, XLogP of 24.24, 21 rotatable bonds, 13 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;methane;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;bis(5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one);1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-d]pyrimidin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine-7-carboxamide;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 165101156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).