7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol

C156H195Cl5F3N43O3S — CID 165082882

IUPAC7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
SMILESCC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2c1cnn2C(C)C.CC(C)c1ncnc2c1cnn2C1CCC(O)CC1.CC(C)c1ncnc2cc(OCCN3CCOCC3)c(F)cc12.CC(C)c1ncnc2scc(-c3ccccc3)c12.CC(C)c1ncnn2ccc(F)c12.Cc1c(C)c2c(C(C)C)ncnn2c1Cl.Cc1cc(Cl)n2nc(C(C)C)nc(C(C)C)c12.Cc1cc(Cl)n2nc(C(C)F)nc(C(C)C)c12.Cc1ccc(-c2nc(C(C)C)c3c(C)cc(Cl)n3n2)cc1.Cc1nc(C(C)C)c2[nH]cnc2n1.Cc1nc(C(C)C)c2cnn(C)c2n1
InChIInChI=1S/C17H18ClN3.C17H22FN3O2.C15H14N2S.C14H20N4O.C13H18ClN3.C12H15ClFN3.C11H14ClN3.C11H16N4.C10H14N4.C9H10ClN3.C9H10FN3.2C9H12N4/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;1-10(2)14-13-12(11-6-4-3-5-7-11)8-18-15(13)17-9-16-14;1-9(2)13-12-7-17-18(14(12)16-8-15-13)10-3-5-11(19)6-4-10;1-7(2)11-12-9(5)6-10(14)17(12)16-13(15-11)8(3)4;1-6(2)10-11-7(3)5-9(13)17(11)16-12(15-10)8(4)14;1-6(2)9-10-7(3)8(4)11(12)15(10)14-5-13-9;1-7(2)10-9-5-14-15(8(3)4)11(9)13-6-12-10;1-6(2)9-8-5-11-14(4)10(8)13-7(3)12-9;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;3-10H,1-2H3;7-11,19H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8H,1-4H3;5-6H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,10,11,12,13)
InChIKeyVKJARNRTIDMVIE-UHFFFAOYSA-N
MW2986.90 g/mol
LogP37.53
Rot. Bonds23

About 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol

7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol (PubChem CID 165082882) has the molecular formula C156H195Cl5F3N43O3S and a molecular weight of 2986.90 g/mol. Its IUPAC name is 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
PubChem CID165082882
Molecular FormulaC156H195Cl5F3N43O3S
Molecular Weight2986.90 g/mol
Exact Mass2982.45
IUPAC Name7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol
SMILESCC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2c1cnn2C(C)C.CC(C)c1ncnc2c1cnn2C1CCC(O)CC1.CC(C)c1ncnc2cc(OCCN3CCOCC3)c(F)cc12.CC(C)c1ncnc2scc(-c3ccccc3)c12.CC(C)c1ncnn2ccc(F)c12.Cc1c(C)c2c(C(C)C)ncnn2c1Cl.Cc1cc(Cl)n2nc(C(C)C)nc(C(C)C)c12.Cc1cc(Cl)n2nc(C(C)F)nc(C(C)C)c12.Cc1ccc(-c2nc(C(C)C)c3c(C)cc(Cl)n3n2)cc1.Cc1nc(C(C)C)c2[nH]cnc2n1.Cc1nc(C(C)C)c2cnn(C)c2n1
InChIInChI=1S/C17H18ClN3.C17H22FN3O2.C15H14N2S.C14H20N4O.C13H18ClN3.C12H15ClFN3.C11H14ClN3.C11H16N4.C10H14N4.C9H10ClN3.C9H10FN3.2C9H12N4/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;1-10(2)14-13-12(11-6-4-3-5-7-11)8-18-15(13)17-9-16-14;1-9(2)13-12-7-17-18(14(12)16-8-15-13)10-3-5-11(19)6-4-10;1-7(2)11-12-9(5)6-10(14)17(12)16-13(15-11)8(3)4;1-6(2)10-11-7(3)5-9(13)17(11)16-12(15-10)8(4)14;1-6(2)9-10-7(3)8(4)11(12)15(10)14-5-13-9;1-7(2)10-9-5-14-15(8(3)4)11(9)13-6-12-10;1-6(2)9-8-5-11-14(4)10(8)13-7(3)12-9;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;3-10H,1-2H3;7-11,19H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8H,1-4H3;5-6H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,10,11,12,13)
InChIKeyVKJARNRTIDMVIE-UHFFFAOYSA-N
XLogP37.53
TPSA514.87 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds23
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002986.90
LogP ≤ 537.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Analyze 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol with MolForge

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Related Compounds

5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[4-(1,1-difluoroethyl)phenyl]methyl]pyridin-2-amine;1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine;1-(4-methylphenyl)-3-[5-[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazol-2-yl]urea
CID 160723182
2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 157132622
6-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyridin-3-ol;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157410001
4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methoxy]quinoline;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine
CID 157504875
4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-(imidazo[4,5-c]pyridin-1-ylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;7-methoxy-4-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methoxy]quinoline;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;6-phenyl-3-(triazolo[4,5-c]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157981232
1-(3-chlorophenyl)pyrazole;2-(3,4-difluorophenyl)pyridine;bis(1-(4-fluorophenyl)imidazole);2-(3-fluorophenyl)-1,3-thiazole;1H-imidazo[4,5-b]pyridine;isoquinoline;1-(3-methoxyphenyl)pyrazole;2-(4-methoxyphenyl)-1H-pyrrole;1-methylindole;6-methyl-1H-indole;5-methyl-2H-isoindole;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;4-methyl-1-phenylpyrazole;5-methyl-1-phenylpyrazole;1-phenylimidazole;2-phenylpyrimidine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;quinazoline;tetrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 158018043
tert-butyl 4-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 158068258
4-tert-butyl-3-chloropyridin-2-amine;7-tert-butyl-2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-7-methoxyquinoline;4-[3-(4-tert-butyl-6-methoxyquinolin-7-yl)oxypropyl]morpholine;7-tert-butyl-2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridine;4-tert-butyl-3-methyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine
CID 158481281
tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 158594878
tert-butyl 4-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(2,2-dimethyl-3H-1-benzofuran-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 158628829
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2S)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-morpholin-4-yl-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3H-pyrrolo[3,2-b]pyridin-7-amine
CID 158941466
4-[[6-(5-Chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole
CID 159473575

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol (CID 165082882) is 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol is CC(C)c1ncnc2[nH]cc(Cl)c12.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2c1cnn2C(C)C.CC(C)c1ncnc2c1cnn2C1CCC(O)CC1.CC(C)c1ncnc2cc(OCCN3CCOCC3)c(F)cc12.CC(C)c1ncnc2scc(-c3ccccc3)c12.CC(C)c1ncnn2ccc(F)c12.Cc1c(C)c2c(C(C)C)ncnn2c1Cl.Cc1cc(Cl)n2nc(C(C)C)nc(C(C)C)c12.Cc1cc(Cl)n2nc(C(C)F)nc(C(C)C)c12.Cc1ccc(-c2nc(C(C)C)c3c(C)cc(Cl)n3n2)cc1.Cc1nc(C(C)C)c2[nH]cnc2n1.Cc1nc(C(C)C)c2cnn(C)c2n1.
What is the InChIKey of 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
The InChIKey is VKJARNRTIDMVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3.C17H22FN3O2.C15H14N2S.C14H20N4O.C13H18ClN3.C12H15ClFN3.C11H14ClN3.C11H16N4.C10H14N4.C9H10ClN3.C9H10FN3.2C9H12N4/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;1-10(2)14-13-12(11-6-4-3-5-7-11)8-18-15(13)17-9-16-14;1-9(2)13-12-7-17-18(14(12)16-8-15-13)10-3-5-11(19)6-4-10;1-7(2)11-12-9(5)6-10(14)17(12)16-13(15-11)8(3)4;1-6(2)10-11-7(3)5-9(13)17(11)16-12(15-10)8(4)14;1-6(2)9-10-7(3)8(4)11(12)15(10)14-5-13-9;1-7(2)10-9-5-14-15(8(3)4)11(9)13-6-12-10;1-6(2)9-8-5-11-14(4)10(8)13-7(3)12-9;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;3-10H,1-2H3;7-11,19H,3-6H2,1-2H3;6-8H,1-5H3;5-6,8H,1-4H3;5-6H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,10,11,12,13).
What are the key properties of 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol?
7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol has a molecular weight of 2986.90 g/mol, XLogP of 37.53, 23 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,6-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-2-(1-fluoroethyl)-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-5-methyl-2-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-chloro-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1,4-di(propan-2-yl)pyrazolo[3,4-d]pyrimidine;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;2-methyl-6-propan-2-yl-7H-purine;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;5-phenyl-4-propan-2-ylthieno[2,3-d]pyrimidine;4-(4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165082882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).