benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one

C223H304F2N24O12S — CID 160675277

IUPACbenzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one
SMILESCC.CC(=O)N1CCc2ccccc21.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)OC(=O)N1CCCc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc(NC(=O)OCc2ccccc2)nc1.CC(C)(C)c1ccc2c(c1)CCCN2C(=O)Cc1c(F)cccc1F.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccc2c(c1)CN(C1CC1)C2=O.CC(C)(C)c1ccc2c(c1)COC2=O.CC(C)(C)c1cccc(-n2cccn2)n1.CC(C)(C)c1cnc(-n2cccn2)nc1.CC(C)(C)c1cnc(C2CC2)nc1.CC1N=Nc2ccc(C(C)(C)C)cc21.CN1C(=O)Cc2ccccc21.Cc1nc2cc(C(C)(C)C)ccc2s1.Cn1ncc2ccccc21.O=C1Cc2ccccc2N1.O=C1NCc2ccccc21
InChIInChI=1S/C21H23F2NO.C18H27NO2.C17H20N2O2.C15H19NO.C12H15N3.C12H16N2.C12H15NS.C12H17N.C12H14O2.C11H14N4.C11H16N2.C10H11NO.C9H9NO.C8H8N2.2C8H7NO.5C5H12.C2H6/c1-21(2,3)15-9-10-19-14(12-15)6-5-11-24(19)20(25)13-16-17(22)7-4-8-18(16)23;1-17(2,3)14-9-10-15-13(12-14)8-7-11-19(15)16(20)21-18(4,5)6;1-17(2,3)14-9-10-15(18-11-14)19-16(20)21-12-13-7-5-4-6-8-13;1-15(2,3)11-4-7-13-10(8-11)9-16(14(13)17)12-5-6-12;1-12(2,3)10-6-4-7-11(14-10)15-9-5-8-13-15;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)9-4-5-10-8(6-9)7-14-11(10)13;1-11(2,3)9-7-12-10(13-8-9)15-6-4-5-14-15;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;1-8(12)11-7-6-9-4-2-3-5-10(9)11;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-8-5-3-2-4-7(8)6-9-10;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;5*1-5(2,3)4;1-2/h4,7-10,12H,5-6,11,13H2,1-3H3;9-10,12H,7-8,11H2,1-6H3;4-11H,12H2,1-3H3,(H,18,19,20);4,7-8,12H,5-6,9H2,1-3H3;4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-5,8,13H,6-7H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;2-5H,6-7H2,1H3;2-5H,6H2,1H3;2-6H,1H3;2*1-4H,5H2,(H,9,10);5*1-4H3;1-2H3
InChIKeyRNLHVVDXRVEHIR-UHFFFAOYSA-N
MW3583.10 g/mol
LogP55.29
Rot. Bonds9

About benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one

benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one (PubChem CID 160675277) has the molecular formula C223H304F2N24O12S and a molecular weight of 3583.10 g/mol. Its IUPAC name is benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one.

Molecular Properties

Compound Namebenzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one
PubChem CID160675277
Molecular FormulaC223H304F2N24O12S
Molecular Weight3583.10 g/mol
Exact Mass3580.36
IUPAC Namebenzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one
SMILESCC.CC(=O)N1CCc2ccccc21.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)OC(=O)N1CCCc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc(NC(=O)OCc2ccccc2)nc1.CC(C)(C)c1ccc2c(c1)CCCN2C(=O)Cc1c(F)cccc1F.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccc2c(c1)CN(C1CC1)C2=O.CC(C)(C)c1ccc2c(c1)COC2=O.CC(C)(C)c1cccc(-n2cccn2)n1.CC(C)(C)c1cnc(-n2cccn2)nc1.CC(C)(C)c1cnc(C2CC2)nc1.CC1N=Nc2ccc(C(C)(C)C)cc21.CN1C(=O)Cc2ccccc21.Cc1nc2cc(C(C)(C)C)ccc2s1.Cn1ncc2ccccc21.O=C1Cc2ccccc2N1.O=C1NCc2ccccc21
InChIInChI=1S/C21H23F2NO.C18H27NO2.C17H20N2O2.C15H19NO.C12H15N3.C12H16N2.C12H15NS.C12H17N.C12H14O2.C11H14N4.C11H16N2.C10H11NO.C9H9NO.C8H8N2.2C8H7NO.5C5H12.C2H6/c1-21(2,3)15-9-10-19-14(12-15)6-5-11-24(19)20(25)13-16-17(22)7-4-8-18(16)23;1-17(2,3)14-9-10-15-13(12-14)8-7-11-19(15)16(20)21-18(4,5)6;1-17(2,3)14-9-10-15(18-11-14)19-16(20)21-12-13-7-5-4-6-8-13;1-15(2,3)11-4-7-13-10(8-11)9-16(14(13)17)12-5-6-12;1-12(2,3)10-6-4-7-11(14-10)15-9-5-8-13-15;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)9-4-5-10-8(6-9)7-14-11(10)13;1-11(2,3)9-7-12-10(13-8-9)15-6-4-5-14-15;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;1-8(12)11-7-6-9-4-2-3-5-10(9)11;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-8-5-3-2-4-7(8)6-9-10;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;5*1-5(2,3)4;1-2/h4,7-10,12H,5-6,11,13H2,1-3H3;9-10,12H,7-8,11H2,1-6H3;4-11H,12H2,1-3H3,(H,18,19,20);4,7-8,12H,5-6,9H2,1-3H3;4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-5,8,13H,6-7H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;2-5H,6-7H2,1H3;2-5H,6H2,1H3;2-6H,1H3;2*1-4H,5H2,(H,9,10);5*1-4H3;1-2H3
InChIKeyRNLHVVDXRVEHIR-UHFFFAOYSA-N
XLogP55.29
TPSA414.05 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds9
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003583.10
LogP ≤ 555.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-[[4-phenyl-3-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydroindole-1-carboxylate;5-[[4-phenyl-3-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-indole;hydrochloride
CID 158449927
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768320
N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide
CID 170705299
tert-butyl 5-[2-oxo-2-(phenylmethoxyamino)ethyl]-2,3-dihydroindole-1-carboxylate
CID 89464407
6-tert-butyl-4H-1,4-benzoxazin-3-one;tert-butyl 6-tert-butyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;5-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-2,2-dimethyl-1,3-dihydroindene;6-tert-butyl-4-ethyl-1,4-benzoxazin-3-one;5-tert-butyl-1-ethyl-2,3-dihydroindole;6-tert-butyl-4-methyl-1,4-benzoxazin-3-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;7-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 163806749
tert-butyl 7-[8-chloro-3-[(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)amino]-7-fluoroisoquinolin-6-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 166082115
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(2-piperidin-1-ylpyrimidin-5-yl)carbamate
CID 164584188
[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-5-yl]methyl N-(3-tert-butylphenyl)carbamate
CID 166074333
tert-butyl 2-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]methyl]piperidine-1-carboxylate
CID 162470367
tert-butyl (2S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 146492674
tert-butyl 6-(2-aminopropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469429
benzyl N-[(4S,10S)-3,9,16,19,22-pentaoxo-24-(phenoxymethyl)-2,8,15,18,21-pentazatricyclo[21.3.1.04,8]heptacosa-1(27),23,25-trien-10-yl]carbamate
CID 10699887

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one?
The IUPAC name of benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one (CID 160675277) is benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one.
What is the SMILES notation for benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one?
The canonical SMILES for benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one is CC.CC(=O)N1CCc2ccccc21.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)OC(=O)N1CCCc2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc(NC(=O)OCc2ccccc2)nc1.CC(C)(C)c1ccc2c(c1)CCCN2C(=O)Cc1c(F)cccc1F.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccc2c(c1)CN(C1CC1)C2=O.CC(C)(C)c1ccc2c(c1)COC2=O.CC(C)(C)c1cccc(-n2cccn2)n1.CC(C)(C)c1cnc(-n2cccn2)nc1.CC(C)(C)c1cnc(C2CC2)nc1.CC1N=Nc2ccc(C(C)(C)C)cc21.CN1C(=O)Cc2ccccc21.Cc1nc2cc(C(C)(C)C)ccc2s1.Cn1ncc2ccccc21.O=C1Cc2ccccc2N1.O=C1NCc2ccccc21.
What is the InChIKey of benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one?
The InChIKey is RNLHVVDXRVEHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO.C18H27NO2.C17H20N2O2.C15H19NO.C12H15N3.C12H16N2.C12H15NS.C12H17N.C12H14O2.C11H14N4.C11H16N2.C10H11NO.C9H9NO.C8H8N2.2C8H7NO.5C5H12.C2H6/c1-21(2,3)15-9-10-19-14(12-15)6-5-11-24(19)20(25)13-16-17(22)7-4-8-18(16)23;1-17(2,3)14-9-10-15-13(12-14)8-7-11-19(15)16(20)21-18(4,5)6;1-17(2,3)14-9-10-15(18-11-14)19-16(20)21-12-13-7-5-4-6-8-13;1-15(2,3)11-4-7-13-10(8-11)9-16(14(13)17)12-5-6-12;1-12(2,3)10-6-4-7-11(14-10)15-9-5-8-13-15;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)9-4-5-10-8(6-9)7-14-11(10)13;1-11(2,3)9-7-12-10(13-8-9)15-6-4-5-14-15;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;1-8(12)11-7-6-9-4-2-3-5-10(9)11;1-10-8-5-3-2-4-7(8)6-9(10)11;1-10-8-5-3-2-4-7(8)6-9-10;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;5*1-5(2,3)4;1-2/h4,7-10,12H,5-6,11,13H2,1-3H3;9-10,12H,7-8,11H2,1-6H3;4-11H,12H2,1-3H3,(H,18,19,20);4,7-8,12H,5-6,9H2,1-3H3;4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-5,8,13H,6-7H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;6-8H,4-5H2,1-3H3;2-5H,6-7H2,1H3;2-5H,6H2,1H3;2-6H,1H3;2*1-4H,5H2,(H,9,10);5*1-4H3;1-2H3.
What are the key properties of benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one?
benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one has a molecular weight of 3583.10 g/mol, XLogP of 55.29, 9 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-tert-butyl-2-pyridinyl)carbamate;5-tert-butyl-3H-2-benzofuran-1-one;tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;5-tert-butyl-2-cyclopropyl-3H-isoindol-1-one;5-tert-butyl-2-cyclopropylpyrimidine;5-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2,6-difluorophenyl)ethanone;5-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-3-methyl-3H-indazole;2-tert-butyl-6-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyrimidine;1,3-dihydroindol-2-one;1-(2,3-dihydroindol-1-yl)ethanone;2,3-dihydroisoindol-1-one;pentakis(2,2-dimethylpropane);ethane;1-methylindazole;1-methyl-3H-indol-2-one is sourced from PubChem (CID 160675277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).