7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine

C190H230Cl2F2N46O2 — CID 165001969

IUPAC7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine
SMILESCC(C)c1ccnn2ccnc12.CC(C)c1cnnn2cccc12.CC(C)c1ncnc2cccn12.COc1cc(C)c2c(C(C)C)ncnn12.COc1cc(C)n2c(C(C)C)ccnc12.Cc1cc(C)n2ncnc(C(C)C)c12.Cc1cc(Cl)c2nccc(C(C)C)n12.Cc1cc(F)n2ncnc(C(C)C)c12.Cc1cc2nncc(C(C)C)c2cc1F.Cc1ccc(-c2cc(C)c3c(C(C)C)ncnn23)cc1.Cc1ccc2c(C(C)C)cnnc2c1.Cc1ccc2c(C(C)C)cnnc2c1.Cc1cnn2cccc2c1C(C)C.Cc1nc(C(C)C)c2c(C)cc(Cl)n2n1.Cc1ncn2cnc(C(C)C)cc12.[C-]#[N+]c1cc(C)c2c(C(C)C)ncnn12.[C-]#[N+]c1cc(C)n2c(C(C)C)ccnc12
InChIInChI=1S/C17H19N3.C12H13FN2.C12H13N3.C12H16N2O.2C12H14N2.C11H14ClN3.C11H13ClN2.C11H12N4.C11H15N3O.C11H15N3.C11H14N2.C10H12FN3.C10H13N3.3C9H11N3/c1-11(2)16-17-13(4)9-15(20(17)19-10-18-16)14-7-5-12(3)6-8-14;1-7(2)10-6-14-15-12-4-8(3)11(13)5-9(10)12;1-8(2)11-5-6-14-12-10(13-4)7-9(3)15(11)12;1-8(2)10-5-6-13-12-11(15-4)7-9(3)14(10)12;2*1-8(2)11-7-13-14-12-6-9(3)4-5-10(11)12;1-6(2)10-11-7(3)5-9(12)15(11)14-8(4)13-10;1-7(2)10-4-5-13-11-9(12)6-8(3)14(10)11;1-7(2)10-11-8(3)5-9(12-4)15(11)14-6-13-10;1-7(2)10-11-8(3)5-9(15-4)14(11)13-6-12-10;1-7(2)10-11-8(3)5-9(4)14(11)13-6-12-10;1-8(2)11-9(3)7-12-13-6-4-5-10(11)13;1-6(2)9-10-7(3)4-8(11)14(10)13-5-12-9;1-7(2)9-4-10-8(3)11-5-13(10)6-12-9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-7(2)8-6-10-11-12-5-3-4-9(8)12;1-7(2)9-11-6-10-8-4-3-5-12(8)9/h5-11H,1-4H3;4-7H,1-3H3;5-8H,1-3H3;5-8H,1-4H3;2*4-8H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-7H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3
InChIKeyIJRIYPCACFOICL-UHFFFAOYSA-N
MW3299.15 g/mol
LogP46.23
Rot. Bonds20

About 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine

7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine (PubChem CID 165001969) has the molecular formula C190H230Cl2F2N46O2 and a molecular weight of 3299.15 g/mol. Its IUPAC name is 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine.

Molecular Properties

Compound Name7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine
PubChem CID165001969
Molecular FormulaC190H230Cl2F2N46O2
Molecular Weight3299.15 g/mol
Exact Mass3295.87
IUPAC Name7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine
SMILESCC(C)c1ccnn2ccnc12.CC(C)c1cnnn2cccc12.CC(C)c1ncnc2cccn12.COc1cc(C)c2c(C(C)C)ncnn12.COc1cc(C)n2c(C(C)C)ccnc12.Cc1cc(C)n2ncnc(C(C)C)c12.Cc1cc(Cl)c2nccc(C(C)C)n12.Cc1cc(F)n2ncnc(C(C)C)c12.Cc1cc2nncc(C(C)C)c2cc1F.Cc1ccc(-c2cc(C)c3c(C(C)C)ncnn23)cc1.Cc1ccc2c(C(C)C)cnnc2c1.Cc1ccc2c(C(C)C)cnnc2c1.Cc1cnn2cccc2c1C(C)C.Cc1nc(C(C)C)c2c(C)cc(Cl)n2n1.Cc1ncn2cnc(C(C)C)cc12.[C-]#[N+]c1cc(C)c2c(C(C)C)ncnn12.[C-]#[N+]c1cc(C)n2c(C(C)C)ccnc12
InChIInChI=1S/C17H19N3.C12H13FN2.C12H13N3.C12H16N2O.2C12H14N2.C11H14ClN3.C11H13ClN2.C11H12N4.C11H15N3O.C11H15N3.C11H14N2.C10H12FN3.C10H13N3.3C9H11N3/c1-11(2)16-17-13(4)9-15(20(17)19-10-18-16)14-7-5-12(3)6-8-14;1-7(2)10-6-14-15-12-4-8(3)11(13)5-9(10)12;1-8(2)11-5-6-14-12-10(13-4)7-9(3)15(11)12;1-8(2)10-5-6-13-12-11(15-4)7-9(3)14(10)12;2*1-8(2)11-7-13-14-12-6-9(3)4-5-10(11)12;1-6(2)10-11-7(3)5-9(12)15(11)14-8(4)13-10;1-7(2)10-4-5-13-11-9(12)6-8(3)14(10)11;1-7(2)10-11-8(3)5-9(12-4)15(11)14-6-13-10;1-7(2)10-11-8(3)5-9(15-4)14(11)13-6-12-10;1-7(2)10-11-8(3)5-9(4)14(11)13-6-12-10;1-8(2)11-9(3)7-12-13-6-4-5-10(11)13;1-6(2)9-10-7(3)4-8(11)14(10)13-5-12-9;1-7(2)9-4-10-8(3)11-5-13(10)6-12-9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-7(2)8-6-10-11-12-5-3-4-9(8)12;1-7(2)9-11-6-10-8-4-3-5-12(8)9/h5-11H,1-4H3;4-7H,1-3H3;5-8H,1-3H3;5-8H,1-4H3;2*4-8H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-7H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3
InChIKeyIJRIYPCACFOICL-UHFFFAOYSA-N
XLogP46.23
TPSA475.62 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds20
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003299.15
LogP ≤ 546.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine with MolForge

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Related Compounds

7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(1-methylpyrazol-4-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 143835140
[2-(Azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
CID 157111385
2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)aniline;N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine
CID 157231197
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
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157785261
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397
[4-Chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 157975637
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 158138339
2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 158182993
[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[4-[3-(1,1-difluoroethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[(4,4-difluoropentylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
CID 158270317
7-[2-(5-Chloro-2,4-difluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-chloro-4-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-fluoro-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(5-chloro-2-fluorophenyl)-5-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[5-methoxy-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158374401

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine?
The IUPAC name of 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine (CID 165001969) is 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine.
What is the SMILES notation for 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine?
The canonical SMILES for 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine is CC(C)c1ccnn2ccnc12.CC(C)c1cnnn2cccc12.CC(C)c1ncnc2cccn12.COc1cc(C)c2c(C(C)C)ncnn12.COc1cc(C)n2c(C(C)C)ccnc12.Cc1cc(C)n2ncnc(C(C)C)c12.Cc1cc(Cl)c2nccc(C(C)C)n12.Cc1cc(F)n2ncnc(C(C)C)c12.Cc1cc2nncc(C(C)C)c2cc1F.Cc1ccc(-c2cc(C)c3c(C(C)C)ncnn23)cc1.Cc1ccc2c(C(C)C)cnnc2c1.Cc1ccc2c(C(C)C)cnnc2c1.Cc1cnn2cccc2c1C(C)C.Cc1nc(C(C)C)c2c(C)cc(Cl)n2n1.Cc1ncn2cnc(C(C)C)cc12.[C-]#[N+]c1cc(C)c2c(C(C)C)ncnn12.[C-]#[N+]c1cc(C)n2c(C(C)C)ccnc12.
What is the InChIKey of 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine?
The InChIKey is IJRIYPCACFOICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.C12H13FN2.C12H13N3.C12H16N2O.2C12H14N2.C11H14ClN3.C11H13ClN2.C11H12N4.C11H15N3O.C11H15N3.C11H14N2.C10H12FN3.C10H13N3.3C9H11N3/c1-11(2)16-17-13(4)9-15(20(17)19-10-18-16)14-7-5-12(3)6-8-14;1-7(2)10-6-14-15-12-4-8(3)11(13)5-9(10)12;1-8(2)11-5-6-14-12-10(13-4)7-9(3)15(11)12;1-8(2)10-5-6-13-12-11(15-4)7-9(3)14(10)12;2*1-8(2)11-7-13-14-12-6-9(3)4-5-10(11)12;1-6(2)10-11-7(3)5-9(12)15(11)14-8(4)13-10;1-7(2)10-4-5-13-11-9(12)6-8(3)14(10)11;1-7(2)10-11-8(3)5-9(12-4)15(11)14-6-13-10;1-7(2)10-11-8(3)5-9(15-4)14(11)13-6-12-10;1-7(2)10-11-8(3)5-9(4)14(11)13-6-12-10;1-8(2)11-9(3)7-12-13-6-4-5-10(11)13;1-6(2)9-10-7(3)4-8(11)14(10)13-5-12-9;1-7(2)9-4-10-8(3)11-5-13(10)6-12-9;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-7(2)8-6-10-11-12-5-3-4-9(8)12;1-7(2)9-11-6-10-8-4-3-5-12(8)9/h5-11H,1-4H3;4-7H,1-3H3;5-8H,1-3H3;5-8H,1-4H3;2*4-8H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-7H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3*3-7H,1-2H3.
What are the key properties of 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine?
7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine has a molecular weight of 3299.15 g/mol, XLogP of 46.23, 20 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-chloro-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;5,7-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methyl-4-propan-2-ylcinnoline;7-fluoro-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-isocyano-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-isocyano-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;8-methoxy-6-methyl-4-propan-2-ylpyrrolo[1,2-a]pyrimidine;7-methoxy-5-methyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;5-methyl-7-(4-methylphenyl)-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;bis(7-methyl-4-propan-2-ylcinnoline);1-methyl-7-propan-2-ylimidazo[1,5-c]pyrimidine;3-methyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-ylpyrrolo[1,2-a][1,3,5]triazine;4-propan-2-ylpyrrolo[1,2-c]triazine is sourced from PubChem (CID 165001969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).