4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine

C163H239N19O — CID 161292289

IUPAC4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine
SMILESCC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)C1=Cc2ccc(C(C)C)nc2C1.CC(C)C1=Cc2cnc(C(C)C)cc2C1.CC(C)C1=Cc2ncc(C(C)C)nc2C1.CC(C)C1=NC=C(C(C)(C)C)C1.CC(C)C1=NN=C(C(C)(C)C)C1.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)C1=Nc2cnc(C(C)C)cc2C1.CC(C)c1cc(C(C)(C)C)n[nH]1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1ncc2[nH]c(C(C)C)nc2n1
InChIInChI=1S/C15H20.5C14H19N.2C13H18N2.C11H16N4.C11H19N.2C10H18N2.C10H17NO/c1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)11-5-12-7-14(10(3)4)15-8-13(12)6-11;1-9(2)12-7-11-5-6-13(10(3)4)15-14(11)8-12;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-8(2)10-5-11-12(6-10)15-13(7-14-11)9(3)4;1-6(2)9-12-5-8-11(14-9)15-10(13-8)7(3)4;1-8(2)10-6-9(7-12-10)11(3,4)5;2*1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)9-11-8(6-12-9)10(3,4)5/h5-8,10-11H,9H2,1-4H3;6-10H,5H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;2*5-10,15H,1-4H3;2*5,7-9H,6H2,1-4H3;5-7H,1-4H3,(H,12,13,14,15);7-8H,6H2,1-5H3;7H,6H2,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3
InChIKeyVGMZMXBZXAOLIK-UHFFFAOYSA-N
MW2480.84 g/mol
LogP46.45
Rot. Bonds22

About 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine

4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine (PubChem CID 161292289) has the molecular formula C163H239N19O and a molecular weight of 2480.84 g/mol. Its IUPAC name is 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine
PubChem CID161292289
Molecular FormulaC163H239N19O
Molecular Weight2480.84 g/mol
Exact Mass2478.92
IUPAC Name4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine
SMILESCC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)C1=Cc2ccc(C(C)C)nc2C1.CC(C)C1=Cc2cnc(C(C)C)cc2C1.CC(C)C1=Cc2ncc(C(C)C)nc2C1.CC(C)C1=NC=C(C(C)(C)C)C1.CC(C)C1=NN=C(C(C)(C)C)C1.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)C1=Nc2cnc(C(C)C)cc2C1.CC(C)c1cc(C(C)(C)C)n[nH]1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1ncc2[nH]c(C(C)C)nc2n1
InChIInChI=1S/C15H20.5C14H19N.2C13H18N2.C11H16N4.C11H19N.2C10H18N2.C10H17NO/c1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)11-5-12-7-14(10(3)4)15-8-13(12)6-11;1-9(2)12-7-11-5-6-13(10(3)4)15-14(11)8-12;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-8(2)10-5-11-12(6-10)15-13(7-14-11)9(3)4;1-6(2)9-12-5-8-11(14-9)15-10(13-8)7(3)4;1-8(2)10-6-9(7-12-10)11(3,4)5;2*1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)9-11-8(6-12-9)10(3,4)5/h5-8,10-11H,9H2,1-4H3;6-10H,5H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;2*5-10,15H,1-4H3;2*5,7-9H,6H2,1-4H3;5-7H,1-4H3,(H,12,13,14,15);7-8H,6H2,1-5H3;7H,6H2,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3
InChIKeyVGMZMXBZXAOLIK-UHFFFAOYSA-N
XLogP46.45
TPSA267.00 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002480.84
LogP ≤ 546.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide
CID 159174326
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide
CID 159268866
4-tert-butyl-1H-benzimidazole;3-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-2-methyl-5-phenylpyrazine;4-tert-butyl-3-methylpyridazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;8-tert-butylquinoline;methane
CID 157150330
3,6-ditert-butyl-5H-cyclopenta[b]pyrazine;2,6-ditert-butyl-7H-cyclopenta[b]pyridine;2,5-ditert-butyl-1H-imidazo[4,5-b]pyridine;2,6-ditert-butyl-1H-indene;2,5-ditert-butyl-1H-indole;2,5-ditert-butyl-3H-indole;2,5-ditert-butyl-3H-pyrrolo[2,3-b]pyridine;2,5-ditert-butyl-3H-pyrrolo[2,3-c]pyridine;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole
CID 157256365
3-methyl-N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;N-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine;7-pyridin-2-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 157320176
3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,6-di(propan-2-yl)-7H-cyclopenta[d]pyrimidine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;2,8-di(propan-2-yl)-7H-purine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine
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N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methanamine;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;4-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]morpholine;7-(4-methylpiperazin-1-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
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3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;2,5-di(propan-2-yl)-3H-imidazo[4,5-b]pyrazine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-b]pyridine;2,6-di(propan-2-yl)-7H-pyrrolo[3,2-d]pyrimidine
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3-tert-butyl-6-propan-2-yl-5H-cyclopenta[b]pyrazine;2-tert-butyl-6-propan-2-yl-7H-cyclopenta[b]pyridine;6-tert-butyl-2-propan-2-yl-1H-indene;5-tert-butyl-2-propan-2-yl-1H-indole;5-tert-butyl-2-propan-2-yl-3H-indole;2-tert-butyl-8-propan-2-yl-7H-purine;5-tert-butyl-2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine;3,6-di(propan-2-yl)-1H-indole;2,4-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)-4H-pyrazole;2,4-di(propan-2-yl)-3H-pyrrole
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N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methanamine;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;2-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;4-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]morpholine;7-(4-methylpiperazin-1-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
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1,2-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzimidazole;1,2-di(propan-2-yl)-2,3-dihydroindole;1,2-di(propan-2-yl)-1,3-dihydroisoindole;1,2-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,3-di(propan-2-yl)-1,2-dihydropyridine;1,2-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)indazole;1,2-di(propan-2-yl)indole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,2-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)pyrrolidine;bis(1,2-di(propan-2-yl)pyrrolo[2,3-b]pyridine);1,2-di(propan-2-yl)pyrrolo[3,2-c]pyridine;2,3-di(propan-2-yl)quinoline;3,4-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;2,3-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline;1,5-di(propan-2-yl)-1,2,4-triazole
CID 158892258
1-tert-butyl-4-(3-tert-butylphenyl)piperazine;2-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-oxazole;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[(5-tert-butyl-1H-1,2,4-triazol-2-ium-2-yl)methyl]piperazine;N-[(3-tert-butylphenyl)methyl]-2-methylpropan-2-amine;4-tert-butyl-1-propan-2-ylpiperidine;N,3-ditert-butylaniline;N,4-ditert-butylaniline;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;N,4-ditert-butylpyridin-2-amine;N,5-ditert-butylpyridin-2-amine;N,6-ditert-butylpyridin-3-amine;1,3-ditert-butylpyrrolidine
CID 159018801

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine (CID 161292289) is 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine is CC(C)C1=Cc2ccc(C(C)C)cc2C1.CC(C)C1=Cc2ccc(C(C)C)nc2C1.CC(C)C1=Cc2cnc(C(C)C)cc2C1.CC(C)C1=Cc2ncc(C(C)C)nc2C1.CC(C)C1=NC=C(C(C)(C)C)C1.CC(C)C1=NN=C(C(C)(C)C)C1.CC(C)C1=Nc2ccc(C(C)C)cc2C1.CC(C)C1=Nc2cnc(C(C)C)cc2C1.CC(C)c1cc(C(C)(C)C)n[nH]1.CC(C)c1ccc2[nH]c(C(C)C)cc2c1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1ncc2[nH]c(C(C)C)nc2n1.
What is the InChIKey of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine?
The InChIKey is VGMZMXBZXAOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20.5C14H19N.2C13H18N2.C11H16N4.C11H19N.2C10H18N2.C10H17NO/c1-10(2)12-5-6-13-8-14(11(3)4)9-15(13)7-12;1-9(2)11-5-12-7-14(10(3)4)15-8-13(12)6-11;1-9(2)12-7-11-5-6-13(10(3)4)15-14(11)8-12;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-8(2)10-5-11-12(6-10)15-13(7-14-11)9(3)4;1-6(2)9-12-5-8-11(14-9)15-10(13-8)7(3)4;1-8(2)10-6-9(7-12-10)11(3,4)5;2*1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)9-11-8(6-12-9)10(3,4)5/h5-8,10-11H,9H2,1-4H3;6-10H,5H2,1-4H3;2*5-7,9-10H,8H2,1-4H3;2*5-10,15H,1-4H3;2*5,7-9H,6H2,1-4H3;5-7H,1-4H3,(H,12,13,14,15);7-8H,6H2,1-5H3;7H,6H2,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3.
What are the key properties of 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine?
4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine has a molecular weight of 2480.84 g/mol, XLogP of 46.45, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-propan-2-yl-1,3-oxazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-5-propan-2-yl-4H-pyrazole;4-tert-butyl-2-propan-2-yl-3H-pyrrole;3,6-di(propan-2-yl)-5H-cyclopenta[b]pyrazine;2,6-di(propan-2-yl)-7H-cyclopenta[b]pyridine;3,6-di(propan-2-yl)-5H-cyclopenta[c]pyridine;2,6-di(propan-2-yl)-1H-indene;2,5-di(propan-2-yl)-1H-indole;2,5-di(propan-2-yl)-3H-indole;3,6-di(propan-2-yl)-1H-indole;2,8-di(propan-2-yl)-7H-purine;2,5-di(propan-2-yl)-3H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 161292289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).