6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol

C150H189Cl5F2N44O4 — CID 164981292

IUPAC6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
SMILESCC(C)C1=NC=NC2C1C=NN2C.CC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2c1c(Cl)cn2C.CC(C)c1ncnc2c1cnn2C(C)C.CC(C)c1ncnc2c1cnn2C1CCC(O)CC1.CC(C)c1ncnc2cc(OCCN3CCOCC3)c(F)cc12.CC(C)c1ncnn2ccc(F)c12.COc1cc2nncc(C(C)C)c2cc1Cl.Cc1ccc(-c2nc(C(C)C)c3c(C)cc(Cl)n3n2)cc1.Cc1nc(C(C)C)c2[nH]cnc2n1.[H]/N=C/c1c(NCC)ncnc1C(C)C.[H]/N=C/c1c(Nc2ccccc2)ncnc1C(C)C
InChIInChI=1S/C17H18ClN3.C17H22FN3O2.C14H20N4O.C14H16N4.C12H13ClN2O.C11H16N4.C10H12ClN3.C10H16N4.2C9H10ClN3.C9H10FN3.C9H14N4.C9H12N4/c1-10(2)15-16-12(4)9-14(18)21(16)20-17(19-15)13-7-5-11(3)6-8-13;1-12(2)17-13-9-14(18)16(10-15(13)19-11-20-17)23-8-5-21-3-6-22-7-4-21;1-9(2)13-12-7-17-18(14(12)16-8-15-13)10-3-5-11(19)6-4-10;1-10(2)13-12(8-15)14(17-9-16-13)18-11-6-4-3-5-7-11;1-7(2)9-6-14-15-11-5-12(16-3)10(13)4-8(9)11;1-7(2)10-9-5-14-15(8(3)4)11(9)13-6-12-10;1-6(2)9-8-7(11)4-14(3)10(8)13-5-12-9;1-4-12-10-8(5-11)9(7(2)3)13-6-14-10;2*1-5(2)8-7-6(10)3-11-9(7)13-4-12-8;1-6(2)8-9-7(10)3-4-13(9)12-5-11-8;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-5(2)7-8-9(11-4-10-8)13-6(3)12-7/h5-10H,1-4H3;9-12H,3-8H2,1-2H3;7-11,19H,3-6H2,1-2H3;3-10,15H,1-2H3,(H,16,17,18);4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;5-7,11H,4H2,1-3H3,(H,12,13,14);2*3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3;4-7,9H,1-3H3;4-5H,1-3H3,(H,10,11,12,13)/b;;;15-8+;;;;11-5+;;;;;
InChIKeyFNHMLEFDJAJLEI-RDECKLHWSA-N
MW2887.73 g/mol
LogP34.13
Rot. Bonds27

About 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol

6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol (PubChem CID 164981292) has the molecular formula C150H189Cl5F2N44O4 and a molecular weight of 2887.73 g/mol. Its IUPAC name is 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
PubChem CID164981292
Molecular FormulaC150H189Cl5F2N44O4
Molecular Weight2887.73 g/mol
Exact Mass2883.43
IUPAC Name6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
SMILESCC(C)C1=NC=NC2C1C=NN2C.CC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2c1c(Cl)cn2C.CC(C)c1ncnc2c1cnn2C(C)C.CC(C)c1ncnc2c1cnn2C1CCC(O)CC1.CC(C)c1ncnc2cc(OCCN3CCOCC3)c(F)cc12.CC(C)c1ncnn2ccc(F)c12.COc1cc2nncc(C(C)C)c2cc1Cl.Cc1ccc(-c2nc(C(C)C)c3c(C)cc(Cl)n3n2)cc1.Cc1nc(C(C)C)c2[nH]cnc2n1.[H]/N=C/c1c(NCC)ncnc1C(C)C.[H]/N=C/c1c(Nc2ccccc2)ncnc1C(C)C
InChIInChI=1S/C17H18ClN3.C17H22FN3O2.C14H20N4O.C14H16N4.C12H13ClN2O.C11H16N4.C10H12ClN3.C10H16N4.2C9H10ClN3.C9H10FN3.C9H14N4.C9H12N4/c1-10(2)15-16-12(4)9-14(18)21(16)20-17(19-15)13-7-5-11(3)6-8-13;1-12(2)17-13-9-14(18)16(10-15(13)19-11-20-17)23-8-5-21-3-6-22-7-4-21;1-9(2)13-12-7-17-18(14(12)16-8-15-13)10-3-5-11(19)6-4-10;1-10(2)13-12(8-15)14(17-9-16-13)18-11-6-4-3-5-7-11;1-7(2)9-6-14-15-11-5-12(16-3)10(13)4-8(9)11;1-7(2)10-9-5-14-15(8(3)4)11(9)13-6-12-10;1-6(2)9-8-7(11)4-14(3)10(8)13-5-12-9;1-4-12-10-8(5-11)9(7(2)3)13-6-14-10;2*1-5(2)8-7-6(10)3-11-9(7)13-4-12-8;1-6(2)8-9-7(10)3-4-13(9)12-5-11-8;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-5(2)7-8-9(11-4-10-8)13-6(3)12-7/h5-10H,1-4H3;9-12H,3-8H2,1-2H3;7-11,19H,3-6H2,1-2H3;3-10,15H,1-2H3,(H,16,17,18);4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;5-7,11H,4H2,1-3H3,(H,12,13,14);2*3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3;4-7,9H,1-3H3;4-5H,1-3H3,(H,10,11,12,13)/b;;;15-8+;;;;11-5+;;;;;
InChIKeyFNHMLEFDJAJLEI-RDECKLHWSA-N
XLogP34.13
TPSA582.25 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds27
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002887.73
LogP ≤ 534.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol with MolForge

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Related Compounds

N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 157325818
N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 159487697
N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 159947574
N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-[[(3S,4S)-1-buta-1,3-dien-2-yl-4-methoxypyrrolidin-3-yl]methoxy]-5-chloro-N-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3,3-dimethylbutanamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160244579
N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 160258766
2-Methoxyethyl 6-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-(2-pyrazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-[4-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157064022
1-[(2S)-4-(4-chloro-3-ethoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-ethoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 157229638
7-[4-[1-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-(2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline
CID 157691878
(1S)-1-[2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethanol;(1R)-1-[2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethanol;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2H-triazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 157923073
1-[4-(4-chloro-5-ethoxy-2-fluorophenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-2-fluoro-5-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;methane
CID 157939837
(4-Chlorophenyl) 6-chloro-1-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(2-chlorophenyl) 6-chloro-1-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-[2-hydroxy-3-[2-methoxyethyl(methyl)amino]propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-[4-[2-hydroxy-3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157967267
1-[(2S)-4-(4-chloro-3-ethoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-ethoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 158043383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol (CID 164981292) is 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol is CC(C)C1=NC=NC2C1C=NN2C.CC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2c1c(Cl)cn2C.CC(C)c1ncnc2c1cnn2C(C)C.CC(C)c1ncnc2c1cnn2C1CCC(O)CC1.CC(C)c1ncnc2cc(OCCN3CCOCC3)c(F)cc12.CC(C)c1ncnn2ccc(F)c12.COc1cc2nncc(C(C)C)c2cc1Cl.Cc1ccc(-c2nc(C(C)C)c3c(C)cc(Cl)n3n2)cc1.Cc1nc(C(C)C)c2[nH]cnc2n1.[H]/N=C/c1c(NCC)ncnc1C(C)C.[H]/N=C/c1c(Nc2ccccc2)ncnc1C(C)C.
What is the InChIKey of 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The InChIKey is FNHMLEFDJAJLEI-RDECKLHWSA-N. The full InChI is InChI=1S/C17H18ClN3.C17H22FN3O2.C14H20N4O.C14H16N4.C12H13ClN2O.C11H16N4.C10H12ClN3.C10H16N4.2C9H10ClN3.C9H10FN3.C9H14N4.C9H12N4/c1-10(2)15-16-12(4)9-14(18)21(16)20-17(19-15)13-7-5-11(3)6-8-13;1-12(2)17-13-9-14(18)16(10-15(13)19-11-20-17)23-8-5-21-3-6-22-7-4-21;1-9(2)13-12-7-17-18(14(12)16-8-15-13)10-3-5-11(19)6-4-10;1-10(2)13-12(8-15)14(17-9-16-13)18-11-6-4-3-5-7-11;1-7(2)9-6-14-15-11-5-12(16-3)10(13)4-8(9)11;1-7(2)10-9-5-14-15(8(3)4)11(9)13-6-12-10;1-6(2)9-8-7(11)4-14(3)10(8)13-5-12-9;1-4-12-10-8(5-11)9(7(2)3)13-6-14-10;2*1-5(2)8-7-6(10)3-11-9(7)13-4-12-8;1-6(2)8-9-7(10)3-4-13(9)12-5-11-8;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-5(2)7-8-9(11-4-10-8)13-6(3)12-7/h5-10H,1-4H3;9-12H,3-8H2,1-2H3;7-11,19H,3-6H2,1-2H3;3-10,15H,1-2H3,(H,16,17,18);4-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;5-7,11H,4H2,1-3H3,(H,12,13,14);2*3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3;4-7,9H,1-3H3;4-5H,1-3H3,(H,10,11,12,13)/b;;;15-8+;;;;11-5+;;;;;.
What are the key properties of 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol has a molecular weight of 2887.73 g/mol, XLogP of 34.13, 27 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-4-propan-2-ylcinnoline;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;bis(5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine);1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;N-ethyl-5-methanimidoyl-6-propan-2-ylpyrimidin-4-amine;5-fluoro-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[2-(6-fluoro-4-propan-2-ylquinazolin-7-yl)oxyethyl]morpholine;5-methanimidoyl-N-phenyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-yl-3a,7a-dihydropyrazolo[3,4-d]pyrimidine;2-methyl-6-propan-2-yl-7H-purine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 164981292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).