3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane

C163H248F4N16O3S — CID 158575123

IUPAC3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane
SMILESC.C.CC(C)(C)c1c(F)cnc2c1C=CC2.CC(C)(C)c1ccc(F)c(C(=O)NC2CC2)c1.CC(C)(C)c1ccc(F)c(C(=O)NC2CCCCC2)c1.CC(C)(C)c1ccc(F)cc1CN1CCCC1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1ccnc(CC2CCCC2)c1.CC(C)(C)c1csc2ccccc12.CC(C)CCn1nccc1C(C)(C)C.CCCCCc1nccc(C(C)(C)C)n1.CCCCN(CCC)c1nccc(C(C)(C)C)n1.CCCc1nnc(C(C)(C)C)o1
InChIInChI=1S/C17H24FNO.C15H22FN.C15H27N3.2C15H23N.C14H18FNO.C13H22N2.C12H14FN.C12H22N2.C12H15N.C12H14S.C9H16N2O.2CH4/c1-17(2,3)12-9-10-15(18)14(11-12)16(20)19-13-7-5-4-6-8-13;1-15(2,3)14-7-6-13(16)10-12(14)11-17-8-4-5-9-17;1-6-8-12-18(11-7-2)14-16-10-9-13(17-14)15(3,4)5;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-15(2,3)13-8-9-16-14(11-13)10-12-6-4-5-7-12;1-14(2,3)9-4-7-12(15)11(8-9)13(17)16-10-5-6-10;1-5-6-7-8-12-14-10-9-11(15-12)13(2,3)4;1-12(2,3)11-8-5-4-6-10(8)14-7-9(11)13;1-10(2)7-9-14-11(6-8-13-14)12(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-5-6-7-10-11-8(12-7)9(2,3)4;;/h9-11,13H,4-8H2,1-3H3,(H,19,20);6-7,10H,4-5,8-9,11H2,1-3H3;9-10H,6-8,11-12H2,1-5H3;7-9,12H,4-6,10-11H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3;4,7-8,10H,5-6H2,1-3H3,(H,16,17);9-10H,5-8H2,1-4H3;4-5,7H,6H2,1-3H3;6,8,10H,7,9H2,1-5H3;4-8,13H,1-3H3;4-8H,1-3H3;5-6H2,1-4H3;2*1H4
InChIKeyHSOILDNGJFBLNT-UHFFFAOYSA-N
MW2587.94 g/mol
LogP43.87
Rot. Bonds24

About 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane

3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane (PubChem CID 158575123) has the molecular formula C163H248F4N16O3S and a molecular weight of 2587.94 g/mol. Its IUPAC name is 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane.

Molecular Properties

Compound Name3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane
PubChem CID158575123
Molecular FormulaC163H248F4N16O3S
Molecular Weight2587.94 g/mol
Exact Mass2585.94
IUPAC Name3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane
SMILESC.C.CC(C)(C)c1c(F)cnc2c1C=CC2.CC(C)(C)c1ccc(F)c(C(=O)NC2CC2)c1.CC(C)(C)c1ccc(F)c(C(=O)NC2CCCCC2)c1.CC(C)(C)c1ccc(F)cc1CN1CCCC1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1ccnc(CC2CCCC2)c1.CC(C)(C)c1csc2ccccc12.CC(C)CCn1nccc1C(C)(C)C.CCCCCc1nccc(C(C)(C)C)n1.CCCCN(CCC)c1nccc(C(C)(C)C)n1.CCCc1nnc(C(C)(C)C)o1
InChIInChI=1S/C17H24FNO.C15H22FN.C15H27N3.2C15H23N.C14H18FNO.C13H22N2.C12H14FN.C12H22N2.C12H15N.C12H14S.C9H16N2O.2CH4/c1-17(2,3)12-9-10-15(18)14(11-12)16(20)19-13-7-5-4-6-8-13;1-15(2,3)14-7-6-13(16)10-12(14)11-17-8-4-5-9-17;1-6-8-12-18(11-7-2)14-16-10-9-13(17-14)15(3,4)5;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-15(2,3)13-8-9-16-14(11-13)10-12-6-4-5-7-12;1-14(2,3)9-4-7-12(15)11(8-9)13(17)16-10-5-6-10;1-5-6-7-8-12-14-10-9-11(15-12)13(2,3)4;1-12(2,3)11-8-5-4-6-10(8)14-7-9(11)13;1-10(2)7-9-14-11(6-8-13-14)12(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-5-6-7-10-11-8(12-7)9(2,3)4;;/h9-11,13H,4-8H2,1-3H3,(H,19,20);6-7,10H,4-5,8-9,11H2,1-3H3;9-10H,6-8,11-12H2,1-5H3;7-9,12H,4-6,10-11H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3;4,7-8,10H,5-6H2,1-3H3,(H,16,17);9-10H,5-8H2,1-4H3;4-5,7H,6H2,1-3H3;6,8,10H,7,9H2,1-5H3;4-8,13H,1-3H3;4-8H,1-3H3;5-6H2,1-4H3;2*1H4
InChIKeyHSOILDNGJFBLNT-UHFFFAOYSA-N
XLogP43.87
TPSA217.79 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002587.94
LogP ≤ 543.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034719
N-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[2-[3-[2-[(3S)-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-methyl-3H-isoindol-1-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]-2H-quinolin-6-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145308616
5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroquinazolin-8-yl]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 145308775
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]indazol-5-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145650626
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157193099
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157269542
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
6-[[6-(1-Benzothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;(4-propan-2-ylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 158591390
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 158867652
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;methane
CID 160524410

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane?
The IUPAC name of 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane (CID 158575123) is 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane.
What is the SMILES notation for 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane?
The canonical SMILES for 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane is C.C.CC(C)(C)c1c(F)cnc2c1C=CC2.CC(C)(C)c1ccc(F)c(C(=O)NC2CC2)c1.CC(C)(C)c1ccc(F)c(C(=O)NC2CCCCC2)c1.CC(C)(C)c1ccc(F)cc1CN1CCCC1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1ccnc(CC2CCCC2)c1.CC(C)(C)c1csc2ccccc12.CC(C)CCn1nccc1C(C)(C)C.CCCCCc1nccc(C(C)(C)C)n1.CCCCN(CCC)c1nccc(C(C)(C)C)n1.CCCc1nnc(C(C)(C)C)o1.
What is the InChIKey of 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane?
The InChIKey is HSOILDNGJFBLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO.C15H22FN.C15H27N3.2C15H23N.C14H18FNO.C13H22N2.C12H14FN.C12H22N2.C12H15N.C12H14S.C9H16N2O.2CH4/c1-17(2,3)12-9-10-15(18)14(11-12)16(20)19-13-7-5-4-6-8-13;1-15(2,3)14-7-6-13(16)10-12(14)11-17-8-4-5-9-17;1-6-8-12-18(11-7-2)14-16-10-9-13(17-14)15(3,4)5;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-15(2,3)13-8-9-16-14(11-13)10-12-6-4-5-7-12;1-14(2,3)9-4-7-12(15)11(8-9)13(17)16-10-5-6-10;1-5-6-7-8-12-14-10-9-11(15-12)13(2,3)4;1-12(2,3)11-8-5-4-6-10(8)14-7-9(11)13;1-10(2)7-9-14-11(6-8-13-14)12(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-5-6-7-10-11-8(12-7)9(2,3)4;;/h9-11,13H,4-8H2,1-3H3,(H,19,20);6-7,10H,4-5,8-9,11H2,1-3H3;9-10H,6-8,11-12H2,1-5H3;7-9,12H,4-6,10-11H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3;4,7-8,10H,5-6H2,1-3H3,(H,16,17);9-10H,5-8H2,1-4H3;4-5,7H,6H2,1-3H3;6,8,10H,7,9H2,1-5H3;4-8,13H,1-3H3;4-8H,1-3H3;5-6H2,1-4H3;2*1H4.
What are the key properties of 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane?
3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane has a molecular weight of 2587.94 g/mol, XLogP of 43.87, 24 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-benzothiophene;N-butyl-4-tert-butyl-N-propylpyrimidin-2-amine;5-tert-butyl-N-cyclohexyl-2-fluorobenzamide;4-tert-butyl-2-(cyclopentylmethyl)pyridine;5-tert-butyl-N-cyclopropyl-2-fluorobenzamide;4-tert-butyl-3-fluoro-7H-cyclopenta[b]pyridine;1-[(2-tert-butyl-5-fluorophenyl)methyl]pyrrolidine;5-tert-butyl-1H-indole;5-tert-butyl-1-(3-methylbutyl)pyrazole;4-tert-butyl-2-pentylpyrimidine;1-(3-tert-butylphenyl)piperidine;2-tert-butyl-5-propyl-1,3,4-oxadiazole;methane is sourced from PubChem (CID 158575123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).