2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

C183H247N37O3 — CID 157119029

IUPAC2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/2C13H16.C11H18N2.C11H14N2.C11H13N.C11H17N.2C10H13N3.2C10H12N2.C10H16N2.C10H15NO.C9H12N4.2C9H11N3.2C9H14N2O.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;2*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*6,10H,3-5H2,1-2H3;3-6H,1-2H3
InChIKeyAHSYDBWKGFOZME-UHFFFAOYSA-N
MW3013.24 g/mol
LogP41.28
Rot. Bonds11

About 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 157119029) has the molecular formula C183H247N37O3 and a molecular weight of 3013.24 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID157119029
Molecular FormulaC183H247N37O3
Molecular Weight3013.24 g/mol
Exact Mass3011.03
IUPAC Name2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/2C13H16.C11H18N2.C11H14N2.C11H13N.C11H17N.2C10H13N3.2C10H12N2.C10H16N2.C10H15NO.C9H12N4.2C9H11N3.2C9H14N2O.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;2*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*6,10H,3-5H2,1-2H3;3-6H,1-2H3
InChIKeyAHSYDBWKGFOZME-UHFFFAOYSA-N
XLogP41.28
TPSA451.22 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds11
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003013.24
LogP ≤ 541.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Analyze 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
3-[2-[(3,3-difluorocyclobutyl)amino]prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[1-(6-methylidene-1H-pyridin-3-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158926049
7-[2-(2H-benzotriazol-5-yl)ethynyl]-6-methyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159047536
CID 161292437
CID 161292437
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 161300818
1,3-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2,8-dimethyl-3,4-dihydro-1H-isoquinoline;1,2-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2,5-dimethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;3-(2-methoxyethyl)-1-methyl-2,3-dihydroindole;7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline;5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;methyl 5-fluoro-1-methyl-2,3-dihydroindole-3-carboxylate;5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;2,3,3-trimethyl-1,4-dihydroisoquinoline;1,4,4-trimethyl-2,3-dihydroquinoline
CID 161827750
3-[3-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-1-quinolin-2-yl-7-(1H-tetrazol-5-yl)isoquinolin-5-yl]-1,2-oxazole
CID 141064053
3-[2-(1H-indazol-3-yl)-3-(7H-purin-2-yl)-1-pyrazin-2-yl-6-pyridazin-3-yl-5-pyridin-2-yl-7-pyrimidin-2-yl-3H-inden-4-yl]-1,2-oxazole
CID 141204913
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-3-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-quinolin-2-ylpyrrolidin-3-yl]-1,2-oxazole
CID 141385601
3-[7-[4-[4-[3-[4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-9H-pyrimido[4,5-b]indol-2-yl]-3-oxopropyl]imidazol-1-yl]butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146785096
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]-1H-imidazol-5-yl]ethyl]-6-methyl-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 147018211
4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethyl]-1H-imidazol-5-yl]propyl]-6-methyl-9H-pyrimido[4,5-b]indole-2-carboxamide
CID 147936904

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 157119029) is 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AHSYDBWKGFOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16.C11H18N2.C11H14N2.C11H13N.C11H17N.2C10H13N3.2C10H12N2.C10H16N2.C10H15NO.C9H12N4.2C9H11N3.2C9H14N2O.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;2*4-7H,1-3H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;2*6,10H,3-5H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3013.24 g/mol, XLogP of 41.28, 11 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 157119029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).