tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine

C173H265F3N26O6 — CID 157099777

IUPACtert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1Cc2ccccc2C1=O.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2ccnn12.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1ncc(F)c2c1N=CC2.CC(C)(C)c1ncn2ccccc12.CCn1cnc2c(C(C)(C)C)ncc(F)c21.C[C@@H]1CCN(C)C(=O)N1C(C)(C)C.C[C@@H]1C[C@H](C)N(C(C)(C)C)C1=O.C[C@@H]1C[C@](C)(C#N)N(C(C)(C)C)C1=O.C[C@H]1CCCC(=O)N1C(C)(C)C.C[C@H]1CCN(C)C(=O)N1C(C)(C)C.Cc1nc2ccccc2n1C(C)(C)C.Cn1cnc2c(C(C)(C)C)ncc(F)c21
InChIInChI=1S/C12H16FN3.C12H16N2.C12H15NO.C12H15N.C11H14FN3.C11H13FN2.C11H18N2O.3C11H14N2.2C10H20N2O.2C10H19NO.C10H20.C9H18/c1-5-16-7-15-9-10(16)8(13)6-14-11(9)12(2,3)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;1-12(2,3)13-8-9-6-4-5-7-10(9)11(13)14;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-11(2,3)10-8-9(7(12)5-13-10)15(4)6-14-8;1-11(2,3)10-9-7(4-5-13-9)8(12)6-14-10;1-8-6-11(5,7-12)13(9(8)14)10(2,3)4;1-11(2,3)10-6-4-5-9-7-8-12-13(9)10;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-9-6-4-5-7-13(9)8-12-10;2*1-8-6-7-11(5)9(13)12(8)10(2,3)4;1-7-6-8(2)11(9(7)12)10(3,4)5;1-8-6-5-7-9(12)11(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h6-7H,5H2,1-4H3;5-8H,1-4H3;4-7H,8H2,1-3H3;4-9H,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;8H,6H2,1-5H3;3*4-8H,1-3H3;2*8H,6-7H2,1-5H3;7-8H,6H2,1-5H3;8H,5-7H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3/t;;;;;;8-,11-;;;;2*8-;7-,8+;8-;;/m......1...1010../s1
InChIKeyAFQAOYBNKVWHSA-MOHNNSMUSA-N
MW2862.19 g/mol
LogP41.60
Rot. Bonds1

About tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine

tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine (PubChem CID 157099777) has the molecular formula C173H265F3N26O6 and a molecular weight of 2862.19 g/mol. Its IUPAC name is tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nametert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine
PubChem CID157099777
Molecular FormulaC173H265F3N26O6
Molecular Weight2862.19 g/mol
Exact Mass2860.12
IUPAC Nametert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1Cc2ccccc2C1=O.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2ccnn12.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1ncc(F)c2c1N=CC2.CC(C)(C)c1ncn2ccccc12.CCn1cnc2c(C(C)(C)C)ncc(F)c21.C[C@@H]1CCN(C)C(=O)N1C(C)(C)C.C[C@@H]1C[C@H](C)N(C(C)(C)C)C1=O.C[C@@H]1C[C@](C)(C#N)N(C(C)(C)C)C1=O.C[C@H]1CCCC(=O)N1C(C)(C)C.C[C@H]1CCN(C)C(=O)N1C(C)(C)C.Cc1nc2ccccc2n1C(C)(C)C.Cn1cnc2c(C(C)(C)C)ncc(F)c21
InChIInChI=1S/C12H16FN3.C12H16N2.C12H15NO.C12H15N.C11H14FN3.C11H13FN2.C11H18N2O.3C11H14N2.2C10H20N2O.2C10H19NO.C10H20.C9H18/c1-5-16-7-15-9-10(16)8(13)6-14-11(9)12(2,3)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;1-12(2,3)13-8-9-6-4-5-7-10(9)11(13)14;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-11(2,3)10-8-9(7(12)5-13-10)15(4)6-14-8;1-11(2,3)10-9-7(4-5-13-9)8(12)6-14-10;1-8-6-11(5,7-12)13(9(8)14)10(2,3)4;1-11(2,3)10-6-4-5-9-7-8-12-13(9)10;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-9-6-4-5-7-13(9)8-12-10;2*1-8-6-7-11(5)9(13)12(8)10(2,3)4;1-7-6-8(2)11(9(7)12)10(3,4)5;1-8-6-5-7-9(12)11(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h6-7H,5H2,1-4H3;5-8H,1-4H3;4-7H,8H2,1-3H3;4-9H,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;8H,6H2,1-5H3;3*4-8H,1-3H3;2*8H,6-7H2,1-5H3;7-8H,6H2,1-5H3;8H,5-7H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3/t;;;;;;8-,11-;;;;2*8-;7-,8+;8-;;/m......1...1010../s1
InChIKeyAFQAOYBNKVWHSA-MOHNNSMUSA-N
XLogP41.60
TPSA312.93 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds1
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002862.19
LogP ≤ 541.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

2-cyclopropyl-6-[3-[1-[[2-[5-[3-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-2-methylbenzimidazol-1-yl]-1-fluorocyclopentyl]methyl]pyrazol-4-yl]-5-fluoro-2-pyridinyl]-3H-isoindol-1-one
CID 137388703
5-[1-(3,3-difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-6-[7-[3-[4-[2-[2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methylpyridin-3-yl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-3-oxo-1H-isoindol-5-yl]-6-methylpyridin-3-yl]pyrazol-1-yl]-2-methylpropyl]-2-methyl-3-oxo-1H-isoindol-5-yl]pyridine-2-carbonitrile
CID 137390007
2-[2-[4-[5-fluoro-4-(2-imidazo[1,2-a]pyridin-7-yl-6-methyl-3-pyridinyl)pyrazol-1-yl]-2-methylbutyl]cyclopropyl]-6-[6-methyl-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one
CID 137392247
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145033350
N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145252871
2-[(7S,8aR)-2-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-3-oxo-6-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)-1H-isoindol-5-yl]-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-yl]-N-[6-[(7R,8aR)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146536410
ethane;3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629358
3-[5-[3-methyl-7-[6-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 153629359
5-[3-(4-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212945
2-methyl-N-(4-methylphenyl)-5-[3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;bis(N-(4-methylphenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide);N-(4-methylphenyl)-5-(3-pyrimidin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157377466
1-[1-(2,2-Dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-6-fluoro-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-2-methyl-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 157553292
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;2-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-carbonitrile;4-[4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;hydrochloride
CID 157558355

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine?
The IUPAC name of tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine (CID 157099777) is tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine?
The canonical SMILES for tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine is CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1Cc2ccccc2C1=O.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2ccnn12.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1ncc(F)c2c1N=CC2.CC(C)(C)c1ncn2ccccc12.CCn1cnc2c(C(C)(C)C)ncc(F)c21.C[C@@H]1CCN(C)C(=O)N1C(C)(C)C.C[C@@H]1C[C@H](C)N(C(C)(C)C)C1=O.C[C@@H]1C[C@](C)(C#N)N(C(C)(C)C)C1=O.C[C@H]1CCCC(=O)N1C(C)(C)C.C[C@H]1CCN(C)C(=O)N1C(C)(C)C.Cc1nc2ccccc2n1C(C)(C)C.Cn1cnc2c(C(C)(C)C)ncc(F)c21.
What is the InChIKey of tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine?
The InChIKey is AFQAOYBNKVWHSA-MOHNNSMUSA-N. The full InChI is InChI=1S/C12H16FN3.C12H16N2.C12H15NO.C12H15N.C11H14FN3.C11H13FN2.C11H18N2O.3C11H14N2.2C10H20N2O.2C10H19NO.C10H20.C9H18/c1-5-16-7-15-9-10(16)8(13)6-14-11(9)12(2,3)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;1-12(2,3)13-8-9-6-4-5-7-10(9)11(13)14;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-11(2,3)10-8-9(7(12)5-13-10)15(4)6-14-8;1-11(2,3)10-9-7(4-5-13-9)8(12)6-14-10;1-8-6-11(5,7-12)13(9(8)14)10(2,3)4;1-11(2,3)10-6-4-5-9-7-8-12-13(9)10;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-9-6-4-5-7-13(9)8-12-10;2*1-8-6-7-11(5)9(13)12(8)10(2,3)4;1-7-6-8(2)11(9(7)12)10(3,4)5;1-8-6-5-7-9(12)11(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h6-7H,5H2,1-4H3;5-8H,1-4H3;4-7H,8H2,1-3H3;4-9H,1-3H3;5-6H,1-4H3;5-6H,4H2,1-3H3;8H,6H2,1-5H3;3*4-8H,1-3H3;2*8H,6-7H2,1-5H3;7-8H,6H2,1-5H3;8H,5-7H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3/t;;;;;;8-,11-;;;;2*8-;7-,8+;8-;;/m......1...1010../s1.
What are the key properties of tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine?
tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine has a molecular weight of 2862.19 g/mol, XLogP of 41.60, 1 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;tert-butylcyclopentane;(4S)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one;(2R,4R)-1-tert-butyl-2,4-dimethyl-5-oxopyrrolidine-2-carbonitrile;(3R,5S)-1-tert-butyl-3,5-dimethylpyrrolidin-2-one;4-tert-butyl-1-ethyl-7-fluoroimidazo[4,5-c]pyridine;4-tert-butyl-7-fluoro-1-methylimidazo[4,5-c]pyridine;7-tert-butyl-4-fluoro-3H-pyrrolo[2,3-c]pyridine;1-tert-butylimidazo[1,5-a]pyridine;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butylindolizine;2-tert-butyl-3H-isoindol-1-one;1-tert-butyl-2-methylbenzimidazole;(6S)-1-tert-butyl-6-methylpiperidin-2-one;7-tert-butylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157099777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).