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

C150H195ClF2N58O11 — CID 161327080

IUPAC6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)C1=NCC2=C1N=CCC2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CCc1ncc2ncn(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(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O.C10H11ClN2.C10H12FN3O.C10H14N4.C10H13N3O.C10H12N2O.C9H11FN4O.C9H11N5O.3C9H12N4O.C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5/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;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)9-10-7(5-12-9)8(13)3-4-11-10;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;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;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);5-7H,4H2,1-3H3;4-6H,1-3H3,(H,11,12,14);4,6H,3,5H2,1-2H3;4H,1-3H3,(H,11,12,15);3-5H,1-2H3,(H2,10,15);2*4-5H,1-3H3,(H,11,12,14);3-5H,1-2H3,(H3,10,12,14);3-6H,10H2,1-2H3;3-6H,1-2H3,(H,10,13);3-7H,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3
InChIKeyVKXJENIUOAAGNH-UHFFFAOYSA-N
MW3060.05 g/mol
LogP23.40
Rot. Bonds21

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

6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 161327080) has the molecular formula C150H195ClF2N58O11 and a molecular weight of 3060.05 g/mol. Its IUPAC name is 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID161327080
Molecular FormulaC150H195ClF2N58O11
Molecular Weight3060.05 g/mol
Exact Mass3057.61
IUPAC Name6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCC(C)C1=NCC2=C1N=CCC2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CCc1ncc2ncn(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(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O.C10H11ClN2.C10H12FN3O.C10H14N4.C10H13N3O.C10H12N2O.C9H11FN4O.C9H11N5O.3C9H12N4O.C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5/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;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)9-10-7(5-12-9)8(13)3-4-11-10;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;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;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);5-7H,4H2,1-3H3;4-6H,1-3H3,(H,11,12,14);4,6H,3,5H2,1-2H3;4H,1-3H3,(H,11,12,15);3-5H,1-2H3,(H2,10,15);2*4-5H,1-3H3,(H,11,12,14);3-5H,1-2H3,(H3,10,12,14);3-6H,10H2,1-2H3;3-6H,1-2H3,(H,10,13);3-7H,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3
InChIKeyVKXJENIUOAAGNH-UHFFFAOYSA-N
XLogP23.40
TPSA881.76 Ų
H-Bond Donors12
H-Bond Acceptors60
Rotatable Bonds21
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.05
LogP ≤ 523.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20240368194, Example 20
CID 167439967
US20240368194, Example 18
CID 167439990
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
1,1,1-trifluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(6-chloroimidazo[1,2-b]pyridazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(7-cyclopropylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 162069395
N-[3-(difluoromethyl)-1-[4-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoimidazo[1,5-a]pyridin-4-ium-8-yl]amino]methyl]piperidin-1-yl]methyl]phenyl]pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162470746
5-[3-chloro-5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxylic acid;N-ethyl-6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[6-(5-ethyltetrazol-2-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone;[1-(4-isocyanophenyl)pyrrolo[2,3-c]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 167540960
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;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 167544826
N-[3-(difluoromethyl)-1-[4-[[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169120216
N-[3-(difluoromethyl)-1-[4-[[4-[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]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 169120598
N-[3-(difluoromethyl)-1-[4-[[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170083642
N-[3-(difluoromethyl)-1-[4-[[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170083649

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 161327080) is 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CC(C)C1=NCC2=C1N=CCC2=O.CC(C)c1nnc2c(N)ccnn12.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)[nH]c(N)cc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CCc1ncc2ncn(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(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is VKXJENIUOAAGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C10H11ClN2.C10H12FN3O.C10H14N4.C10H13N3O.C10H12N2O.C9H11FN4O.C9H11N5O.3C9H12N4O.C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5/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;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)9-10-7(5-12-9)8(13)3-4-11-10;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-11-8-6(13)3-7(10)12-9(8)14;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;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;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);5-7H,4H2,1-3H3;4-6H,1-3H3,(H,11,12,14);4,6H,3,5H2,1-2H3;4H,1-3H3,(H,11,12,15);3-5H,1-2H3,(H2,10,15);2*4-5H,1-3H3,(H,11,12,14);3-5H,1-2H3,(H3,10,12,14);3-6H,10H2,1-2H3;3-6H,1-2H3,(H,10,13);3-7H,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,9H2,1-2H3.
What are the key properties of 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 3060.05 g/mol, XLogP of 23.40, 21 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;2-ethyl-9-propan-2-ylpurine;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;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;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-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 161327080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).