3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline

C189H313F3N22O11 — CID 160546100

IUPAC3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
SMILESC.C.C.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCC2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1CCOC2.CC(C)(C)c1cnn2c1CCC2.CC(C)(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)COc2ccnn2C1.CN1CCOc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCC2.c1cc2n(n1)CCCO2.c1ccc2c(c1)CCOC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)OCCO2
InChIInChI=1S/C12H18N2O.3C12H17NO.C11H16F3N3.C11H18N2.C10H16N2O.C10H16N2.C10H13N.C9H11N.C9H10O.C8H12N2O.C8H9NO.C7H7NO2.C6H8N2O.7C5H12.2C2H6.3CH4/c1-12(2,3)9-7-10-11(13-8-9)14(4)5-6-15-10;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)9-6-7-13-10-5-4-8-14-11(9)10;1-12(2,3)11-7-9-5-4-6-14-10(9)8-13-11;1-10(2,3)7-6-16-17-8(11(12,13)14)4-5-15-9(7)17;1-8-10(11(2,3)4)13-7-5-6-9(13)12-8;1-10(2,3)8-6-11-9-7-13-5-4-12(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-11-7-6-9-4-2-3-5-10(9)8-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-8(2)5-10-7(11-6-8)3-4-9-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2-6-7(8-3-1)10-5-4-9-6;1-4-8-6(9-5-1)2-3-7-8;7*1-5(2,3)4;2*1-2;;;/h7-8H,5-6H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;6,8,15H,4-5H2,1-3H3;5-7H2,1-4H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;3,5,7H,1-2,4,6H2;1-4H,5-7H2;3-4H,5-6H2,1-2H3;1,3,5H,2,4,6H2;1-3H,4-5H2;2-3H,1,4-5H2;7*1-4H3;2*1-2H3;3*1H4
InChIKeyQXLIRBUOLKIHCZ-UHFFFAOYSA-N
MW3126.72 g/mol
LogP47.39
Rot. Bonds

About 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline

3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline (PubChem CID 160546100) has the molecular formula C189H313F3N22O11 and a molecular weight of 3126.72 g/mol. Its IUPAC name is 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
PubChem CID160546100
Molecular FormulaC189H313F3N22O11
Molecular Weight3126.72 g/mol
Exact Mass3124.46
IUPAC Name3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
SMILESC.C.C.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCC2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1CCOC2.CC(C)(C)c1cnn2c1CCC2.CC(C)(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)COc2ccnn2C1.CN1CCOc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCC2.c1cc2n(n1)CCCO2.c1ccc2c(c1)CCOC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)OCCO2
InChIInChI=1S/C12H18N2O.3C12H17NO.C11H16F3N3.C11H18N2.C10H16N2O.C10H16N2.C10H13N.C9H11N.C9H10O.C8H12N2O.C8H9NO.C7H7NO2.C6H8N2O.7C5H12.2C2H6.3CH4/c1-12(2,3)9-7-10-11(13-8-9)14(4)5-6-15-10;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)9-6-7-13-10-5-4-8-14-11(9)10;1-12(2,3)11-7-9-5-4-6-14-10(9)8-13-11;1-10(2,3)7-6-16-17-8(11(12,13)14)4-5-15-9(7)17;1-8-10(11(2,3)4)13-7-5-6-9(13)12-8;1-10(2,3)8-6-11-9-7-13-5-4-12(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-11-7-6-9-4-2-3-5-10(9)8-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-8(2)5-10-7(11-6-8)3-4-9-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2-6-7(8-3-1)10-5-4-9-6;1-4-8-6(9-5-1)2-3-7-8;7*1-5(2,3)4;2*1-2;;;/h7-8H,5-6H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;6,8,15H,4-5H2,1-3H3;5-7H2,1-4H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;3,5,7H,1-2,4,6H2;1-4H,5-7H2;3-4H,5-6H2,1-2H3;1,3,5H,2,4,6H2;1-3H,4-5H2;2-3H,1,4-5H2;7*1-4H3;2*1-2H3;3*1H4
InChIKeyQXLIRBUOLKIHCZ-UHFFFAOYSA-N
XLogP47.39
TPSA317.19 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003126.72
LogP ≤ 547.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline 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
4-[5-(1-cyclobutylpyrazol-4-yl)-2-(1-phenoxypropan-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157116905
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-tert-butyl-2-methyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole;6-tert-butyl-1-methyl-2,4-dihydropyrido[2,3-d][1,3]oxazine;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 157623029
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2-methoxyethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-amine;N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(2,2,2-trifluoroethoxy)-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]-7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-amine
CID 157743815
N-[[6-(imidazo[2,1-a]phthalazin-6-yloxymethyl)-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylimidazo[5,1-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[[2-(trifluoromethyl)imidazo[2,1-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157803796
3-(1,1-Difluoroethyl)-6-[2-methyl-5-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 157831017
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 158006128
N-ethyl-4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[(5S)-2-(4-fluorophenyl)-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 158456098
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;octakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
CID 158456173
4-tert-butyl-2-(6-fluoro-3H-pyridin-3-id-2-yl)-6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyridine;6-methyl-2-[6-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide;4-phenoxy-2-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-6-[6-(trifluoromethyl)-3H-pyridin-3-id-2-yl]pyridine;4-[6-[2-(1-phenylpyrazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;4-[6-[2-(1-phenyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)-3H-pyridin-3-ide;1-phenyl-3-[2-[6-[6-(trifluoromethyl)-3H-pyridin-3-id-2-yl]-2-pyridinyl]propan-2-yl]indazole;hexakis(platinum(2+))
CID 158642306
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 158830231

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline?
The IUPAC name of 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline (CID 160546100) is 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline is C.C.C.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCC2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1CCOC2.CC(C)(C)c1cnn2c1CCC2.CC(C)(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)COc2ccnn2C1.CN1CCOc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCC2.c1cc2n(n1)CCCO2.c1ccc2c(c1)CCOC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)OCCO2.
What is the InChIKey of 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline?
The InChIKey is QXLIRBUOLKIHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.3C12H17NO.C11H16F3N3.C11H18N2.C10H16N2O.C10H16N2.C10H13N.C9H11N.C9H10O.C8H12N2O.C8H9NO.C7H7NO2.C6H8N2O.7C5H12.2C2H6.3CH4/c1-12(2,3)9-7-10-11(13-8-9)14(4)5-6-15-10;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)9-6-7-13-10-5-4-8-14-11(9)10;1-12(2,3)11-7-9-5-4-6-14-10(9)8-13-11;1-10(2,3)7-6-16-17-8(11(12,13)14)4-5-15-9(7)17;1-8-10(11(2,3)4)13-7-5-6-9(13)12-8;1-10(2,3)8-6-11-9-7-13-5-4-12(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-11-7-6-9-4-2-3-5-10(9)8-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-8(2)5-10-7(11-6-8)3-4-9-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2-6-7(8-3-1)10-5-4-9-6;1-4-8-6(9-5-1)2-3-7-8;7*1-5(2,3)4;2*1-2;;;/h7-8H,5-6H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;6,8,15H,4-5H2,1-3H3;5-7H2,1-4H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;3,5,7H,1-2,4,6H2;1-4H,5-7H2;3-4H,5-6H2,1-2H3;1,3,5H,2,4,6H2;1-3H,4-5H2;2-3H,1,4-5H2;7*1-4H3;2*1-2H3;3*1H4.
What are the key properties of 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline?
3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline has a molecular weight of 3126.72 g/mol, XLogP of 47.39, 0 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;heptakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 160546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).