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

C161H244N18O — CID 157256365

IUPAC3,6-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
SMILESCC(C)(C)C1=Cc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C1=Cc2ccc(C(C)(C)C)nc2C1.CC(C)(C)C1=Cc2ncc(C(C)(C)C)nc2C1.CC(C)(C)C1=Nc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C1=Nc2cnc(C(C)(C)C)cc2C1.CC(C)(C)C1=Nc2ncc(C(C)(C)C)cc2C1.CC(C)(C)c1ccc2[nH]c(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2[nH]c(C(C)(C)C)nc2n1.CC(C)C1=CN=C(C(C)C)C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1coc(C(C)C)n1
InChIInChI=1S/C17H24.3C16H23N.3C15H22N2.C14H21N3.C10H17N.2C9H16N2.C9H15NO/c1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;2*1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-15(2,3)12-9-11-7-8-14(16(4,5)6)17-13(11)10-12;1-14(2,3)12-7-10-8-13(15(4,5)6)17-11(10)9-16-12;1-14(2,3)10-7-11-12(8-10)17-13(9-16-11)15(4,5)6;1-14(2,3)11-7-10-8-12(15(4,5)6)17-13(10)16-9-11;1-13(2,3)10-8-7-9-11(16-10)17-12(15-9)14(4,5)6;1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4/h7-10H,11H2,1-6H3;7-9H,10H2,1-6H3;7-10,17H,1-6H3;7-9H,10H2,1-6H3;3*7,9H,8H2,1-6H3;7-8H,1-6H3,(H,15,16,17);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyAWYBRQONNVHFFD-UHFFFAOYSA-N
MW2447.85 g/mol
LogP45.28
Rot. Bonds8

About 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

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 (PubChem CID 157256365) has the molecular formula C161H244N18O and a molecular weight of 2447.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID157256365
Molecular FormulaC161H244N18O
Molecular Weight2447.85 g/mol
Exact Mass2445.96
IUPAC Name3,6-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
SMILESCC(C)(C)C1=Cc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C1=Cc2ccc(C(C)(C)C)nc2C1.CC(C)(C)C1=Cc2ncc(C(C)(C)C)nc2C1.CC(C)(C)C1=Nc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C1=Nc2cnc(C(C)(C)C)cc2C1.CC(C)(C)C1=Nc2ncc(C(C)(C)C)cc2C1.CC(C)(C)c1ccc2[nH]c(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2[nH]c(C(C)(C)C)nc2n1.CC(C)C1=CN=C(C(C)C)C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1coc(C(C)C)n1
InChIInChI=1S/C17H24.3C16H23N.3C15H22N2.C14H21N3.C10H17N.2C9H16N2.C9H15NO/c1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;2*1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-15(2,3)12-9-11-7-8-14(16(4,5)6)17-13(11)10-12;1-14(2,3)12-7-10-8-13(15(4,5)6)17-11(10)9-16-12;1-14(2,3)10-7-11-12(8-10)17-13(9-16-11)15(4,5)6;1-14(2,3)11-7-10-8-12(15(4,5)6)17-13(10)16-9-11;1-13(2,3)10-8-7-9-11(16-10)17-12(15-9)14(4,5)6;1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4/h7-10H,11H2,1-6H3;7-9H,10H2,1-6H3;7-10,17H,1-6H3;7-9H,10H2,1-6H3;3*7,9H,8H2,1-6H3;7-8H,1-6H3,(H,15,16,17);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyAWYBRQONNVHFFD-UHFFFAOYSA-N
XLogP45.28
TPSA250.68 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002447.85
LogP ≤ 545.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 142594404
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-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
CID 157409423
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
CID 157679434
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
CID 158778026
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
CID 158793362
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
CID 158870213
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
8-tert-butylimidazo[1,2-a]pyridine;3-tert-butylpyridine;cumene;methane;6-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-yl-5H-cyclopenta[c]pyridine;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-yl-2,3-dihydro-1H-isoindole;2-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;2-propan-2-yl-1H-indene;2-propan-2-yl-3H-indole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylquinoline;4-propan-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(3-propan-2-yl-1,2,3,4-tetrahydroisoquinoline);2-propan-2-yl-5,6,7,8-tetrahydroquinoline;5-propan-2-yl-1H-1,2,4-triazole
CID 159073581
3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;1H-imidazole;1H-indazole;indolizine;methane;tridecakis(2-methylpropane);1,3-oxazole;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylnaphthalene;2-propan-2-ylquinoline;4-propan-2-ylquinoline;7-propan-2-ylquinoline;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;bis(pyridine);1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;[1,2,4]triazolo[4,3-a]pyridine
CID 159091822
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;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
CID 159245249
6-tert-butyl-3-propan-2-yl-5H-cyclopenta[b]pyrazine;6-tert-butyl-2-propan-2-yl-7H-cyclopenta[b]pyridine;2-tert-butyl-5-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-6-propan-2-yl-1H-indene;2-tert-butyl-5-propan-2-yl-1H-indole;2-tert-butyl-5-propan-2-yl-3H-indole;2-tert-butyl-5-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-tert-butyl-5-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;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
CID 159406839

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1=Cc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C1=Cc2ccc(C(C)(C)C)nc2C1.CC(C)(C)C1=Cc2ncc(C(C)(C)C)nc2C1.CC(C)(C)C1=Nc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C1=Nc2cnc(C(C)(C)C)cc2C1.CC(C)(C)C1=Nc2ncc(C(C)(C)C)cc2C1.CC(C)(C)c1ccc2[nH]c(C(C)(C)C)cc2c1.CC(C)(C)c1ccc2[nH]c(C(C)(C)C)nc2n1.CC(C)C1=CN=C(C(C)C)C1.CC(C)C1=NN=C(C(C)C)C1.CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1coc(C(C)C)n1.
What is the InChIKey of 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?
The InChIKey is AWYBRQONNVHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24.3C16H23N.3C15H22N2.C14H21N3.C10H17N.2C9H16N2.C9H15NO/c1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;2*1-15(2,3)12-7-8-13-11(9-12)10-14(17-13)16(4,5)6;1-15(2,3)12-9-11-7-8-14(16(4,5)6)17-13(11)10-12;1-14(2,3)12-7-10-8-13(15(4,5)6)17-11(10)9-16-12;1-14(2,3)10-7-11-12(8-10)17-13(9-16-11)15(4,5)6;1-14(2,3)11-7-10-8-12(15(4,5)6)17-13(10)16-9-11;1-13(2,3)10-8-7-9-11(16-10)17-12(15-9)14(4,5)6;1-7(2)9-5-10(8(3)4)11-6-9;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11-9(10-8)7(3)4/h7-10H,11H2,1-6H3;7-9H,10H2,1-6H3;7-10,17H,1-6H3;7-9H,10H2,1-6H3;3*7,9H,8H2,1-6H3;7-8H,1-6H3,(H,15,16,17);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2447.85 g/mol, XLogP of 45.28, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157256365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).