6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine

C166H200N30S5 — CID 157335809

IUPAC6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2cncnc2cn1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1cc2scnc2cn1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(n1)CC=N2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncncc2n1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1cnc2ncncc2c1.CC(C)(C)c1cnc2ncsc2c1
InChIInChI=1S/3C12H14N2.C12H15N.3C11H13N3.3C11H14N2.2C11H13NS.3C10H12N2S/c1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)10-4-8-5-12-7-14-9(8)6-13-10;1-11(2,3)9-4-8-5-12-7-14-10(8)13-6-9;1-11(2,3)10-5-4-8-9(14-10)6-12-7-13-8;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-5-4-8-9(13-10)6-7-12-8;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7/h3*4-8H,1-3H3;4-8,13H,1-3H3;3*4-7H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-5,7H,6H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3
InChIKeyBFVBTDIUGRYDQG-UHFFFAOYSA-N
MW2775.97 g/mol
LogP43.50
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine

6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine (PubChem CID 157335809) has the molecular formula C166H200N30S5 and a molecular weight of 2775.97 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine
PubChem CID157335809
Molecular FormulaC166H200N30S5
Molecular Weight2775.97 g/mol
Exact Mass2773.52
IUPAC Name6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2cncnc2cn1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1cc2scnc2cn1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(n1)CC=N2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncncc2n1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1cnc2ncncc2c1.CC(C)(C)c1cnc2ncsc2c1
InChIInChI=1S/3C12H14N2.C12H15N.3C11H13N3.3C11H14N2.2C11H13NS.3C10H12N2S/c1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)10-4-8-5-12-7-14-9(8)6-13-10;1-11(2,3)9-4-8-5-12-7-14-10(8)13-6-9;1-11(2,3)10-5-4-8-9(14-10)6-12-7-13-8;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-5-4-8-9(13-10)6-7-12-8;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7/h3*4-8H,1-3H3;4-8,13H,1-3H3;3*4-7H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-5,7H,6H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3
InChIKeyBFVBTDIUGRYDQG-UHFFFAOYSA-N
XLogP43.50
TPSA383.49 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002775.97
LogP ≤ 543.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
2-N-ethyl-6-[6-[[4-[(6-fluoroimidazo[1,5-a]pyridin-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-methylamino]-1,3-benzothiazol-2-yl]-2-N-(2-phenylethyl)-4-N-(1,2,4-thiadiazol-5-yl)quinazoline-2,4-diamine
CID 142808318
6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine
CID 157406004
4-methyl-1-[2-(3-methylidenepiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-propyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(3H-pyrrol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 159185638
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630
1-(4H-imidazol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(1-methylimidazol-2-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(2H-pyrrol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(3H-pyrrol-5-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160336757
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-(2,2-dimethylpiperidin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 161453498
2,5-dimethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(4-fluoro-2-methyl-1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(7-phenyl-1,6-naphthyridin-5-yl)-6,7,8,9-tetrahydro-5H-carbazol-3-amine;7-phenyl-N-[2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-7-yl]-1,6-naphthyridin-5-amine
CID 164947162
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-[(2-isocyano-4-methyl-1H-indol-5-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[2-(2-methylbutyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 164996810

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine (CID 157335809) is 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine is CC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2cncnc2cn1.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1cc2scnc2cn1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(n1)CC=N2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncncc2n1.CC(C)(C)c1ccc2ncsc2n1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1cnc2ncncc2c1.CC(C)(C)c1cnc2ncsc2c1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The InChIKey is BFVBTDIUGRYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H14N2.C12H15N.3C11H13N3.3C11H14N2.2C11H13NS.3C10H12N2S/c1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)10-4-8-5-12-7-14-9(8)6-13-10;1-11(2,3)9-4-8-5-12-7-14-10(8)13-6-9;1-11(2,3)10-5-4-8-9(14-10)6-12-7-13-8;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-5-4-8-9(13-10)6-7-12-8;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7/h3*4-8H,1-3H3;4-8,13H,1-3H3;3*4-7H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-5,7H,6H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine?
6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine has a molecular weight of 2775.97 g/mol, XLogP of 43.50, 0 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;6-tert-butylpyrido[2,3-d]pyrimidine;6-tert-butylpyrido[3,2-d]pyrimidine;6-tert-butylpyrido[3,4-d]pyrimidine;5-tert-butyl-3H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;6-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[3,2-c]pyridine is sourced from PubChem (CID 157335809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).