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;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline)

C175H285F3N22O6 — CID 167536616

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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline)
SMILESCC.CC.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)CCCC2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1CCOC2.CC(C)(C)c1cnn2c1CCC2.CC(C)C.CC(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)Cn2nccc2CO1.CN1CCCc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCCC2.c1cc2n(n1)CCOC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)OCCC2
InChIInChI=1S/C13H20N2.C13H19N.C12H20N2.2C12H17NO.C10H14F3N3.C10H16N2O.C10H16N2.C10H13N.2C9H11N.C8H12N2O.C8H9NO.C6H8N2O.5C5H12.C4H10.2C2H6/c1-13(2,3)11-8-10-6-5-7-15(4)12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;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;1-6(2)7-5-15-16-8(10(11,12)13)3-4-14-9(7)16;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;2*1-2-6-9-8(4-1)5-3-7-10-9;1-8(2)6-10-7(5-11-8)3-4-9-10;1-4-8-7(9-5-1)3-2-6-10-8;1-2-7-8-3-4-9-5-6(1)8;5*1-5(2,3)4;1-4(2)3;2*1-2/h8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;5-6,8,14H,3-4H2,1-2H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;2*3,5,7H,1-2,4,6H2;3-4H,5-6H2,1-2H3;1,4-5H,2-3,6H2;1-2H,3-5H2;5*1-4H3;4H,1-3H3;2*1-2H3
InChIKeyAQFXKAMBFMDVBM-UHFFFAOYSA-N
MW2850.35 g/mol
LogP43.35
Rot. Bonds1

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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline) (PubChem CID 167536616) has the molecular formula C175H285F3N22O6 and a molecular weight of 2850.35 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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline)
PubChem CID167536616
Molecular FormulaC175H285F3N22O6
Molecular Weight2850.35 g/mol
Exact Mass2848.26
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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline)
SMILESCC.CC.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)CCCC2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1CCOC2.CC(C)(C)c1cnn2c1CCC2.CC(C)C.CC(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)Cn2nccc2CO1.CN1CCCc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCCC2.c1cc2n(n1)CCOC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)OCCC2
InChIInChI=1S/C13H20N2.C13H19N.C12H20N2.2C12H17NO.C10H14F3N3.C10H16N2O.C10H16N2.C10H13N.2C9H11N.C8H12N2O.C8H9NO.C6H8N2O.5C5H12.C4H10.2C2H6/c1-13(2,3)11-8-10-6-5-7-15(4)12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;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;1-6(2)7-5-15-16-8(10(11,12)13)3-4-14-9(7)16;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;2*1-2-6-9-8(4-1)5-3-7-10-9;1-8(2)6-10-7(5-11-8)3-4-9-10;1-4-8-7(9-5-1)3-2-6-10-8;1-2-7-8-3-4-9-5-6(1)8;5*1-5(2,3)4;1-4(2)3;2*1-2/h8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;5-6,8,14H,3-4H2,1-2H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;2*3,5,7H,1-2,4,6H2;3-4H,5-6H2,1-2H3;1,4-5H,2-3,6H2;1-2H,3-5H2;5*1-4H3;4H,1-3H3;2*1-2H3
InChIKeyAQFXKAMBFMDVBM-UHFFFAOYSA-N
XLogP43.35
TPSA271.04 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds1
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002850.35
LogP ≤ 543.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline) with MolForge

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Related Compounds

2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
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-(3-methyl-1,2-thiazol-5-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-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 143835130
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
8-methoxy-6-[5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4-(trifluoromethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321462
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
4-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazin-4-amine
CID 157078987
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
1-Tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
CID 157198497
3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(2-methylpropoxy)methyl]-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157207637

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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline) (CID 167536616) 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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline) is 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)c1cc2c(cn1)CCCC2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1CCOC2.CC(C)(C)c1cnn2c1CCC2.CC(C)C.CC(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)Cn2nccc2CO1.CN1CCCc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCCC2.c1cc2n(n1)CCOC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)OCCC2.
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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline)?
The InChIKey is AQFXKAMBFMDVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C13H19N.C12H20N2.2C12H17NO.C10H14F3N3.C10H16N2O.C10H16N2.C10H13N.2C9H11N.C8H12N2O.C8H9NO.C6H8N2O.5C5H12.C4H10.2C2H6/c1-13(2,3)11-8-10-6-5-7-15(4)12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;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;1-6(2)7-5-15-16-8(10(11,12)13)3-4-14-9(7)16;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;2*1-2-6-9-8(4-1)5-3-7-10-9;1-8(2)6-10-7(5-11-8)3-4-9-10;1-4-8-7(9-5-1)3-2-6-10-8;1-2-7-8-3-4-9-5-6(1)8;5*1-5(2,3)4;1-4(2)3;2*1-2/h8-9H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;5-6,8,14H,3-4H2,1-2H3;6H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;2*3,5,7H,1-2,4,6H2;3-4H,5-6H2,1-2H3;1,4-5H,2-3,6H2;1-2H,3-5H2;5*1-4H3;4H,1-3H3;2*1-2H3.
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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline) has a molecular weight of 2850.35 g/mol, XLogP of 43.35, 1 rotatable bonds, 1 hydrogen bond donors, and 28 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;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;6-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine;3-tert-butyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;pentakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;2-methylpropane;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;bis(5,6,7,8-tetrahydroquinoline) is sourced from PubChem (CID 167536616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).