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

C167H247N19O — CID 159406839

IUPAC6-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
SMILESCC(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)c1cc2c(cn1)N=C(C(C)(C)C)C2.CC(C)c1ccc2[nH]c(C(C)(C)C)cc2c1.CC(C)c1ccc2[nH]c(C(C)(C)C)nc2n1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)CC(C(C)(C)C)=C2.CC(C)c1ccc2c(c1)CC(C(C)(C)C)=N2.CC(C)c1ccc2c(n1)CC(C(C)(C)C)=C2.CC(C)c1cnc2c(c1)CC(C(C)(C)C)=N2.CC(C)c1cnc2c(n1)CC(C(C)(C)C)=C2.CC(C)c1coc(C(C)C)n1
InChIInChI=1S/C16H22.3C15H21N.3C14H20N2.C14H19N.C13H19N3.C10H17N.2C9H16N2.C9H15NO/c1-11(2)12-6-7-13-9-15(16(3,4)5)10-14(13)8-12;1-10(2)13-7-6-11-8-12(15(3,4)5)9-14(11)16-13;2*1-10(2)11-6-7-13-12(8-11)9-14(16-13)15(3,4)5;1-9(2)13-8-15-11-6-10(14(3,4)5)7-12(11)16-13;1-9(2)11-6-10-7-13(14(3,4)5)16-12(10)8-15-11;1-9(2)11-6-10-7-12(14(3,4)5)16-13(10)15-8-11;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)9-6-7-10-11(14-9)16-12(15-10)13(3,4)5;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/h6-9,11H,10H2,1-5H3;2*6-8,10H,9H2,1-5H3;6-10,16H,1-5H3;3*6,8-9H,7H2,1-5H3;5-10,15H,1-4H3;6-8H,1-5H3,(H,14,15,16);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyLOBJZHKRQNFMIH-UHFFFAOYSA-N
MW2536.94 g/mol
LogP48.30
Rot. Bonds18

About 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

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 (PubChem CID 159406839) has the molecular formula C167H247N19O and a molecular weight of 2536.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159406839
Molecular FormulaC167H247N19O
Molecular Weight2536.94 g/mol
Exact Mass2534.99
IUPAC Name6-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
SMILESCC(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)c1cc2c(cn1)N=C(C(C)(C)C)C2.CC(C)c1ccc2[nH]c(C(C)(C)C)cc2c1.CC(C)c1ccc2[nH]c(C(C)(C)C)nc2n1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)CC(C(C)(C)C)=C2.CC(C)c1ccc2c(c1)CC(C(C)(C)C)=N2.CC(C)c1ccc2c(n1)CC(C(C)(C)C)=C2.CC(C)c1cnc2c(c1)CC(C(C)(C)C)=N2.CC(C)c1cnc2c(n1)CC(C(C)(C)C)=C2.CC(C)c1coc(C(C)C)n1
InChIInChI=1S/C16H22.3C15H21N.3C14H20N2.C14H19N.C13H19N3.C10H17N.2C9H16N2.C9H15NO/c1-11(2)12-6-7-13-9-15(16(3,4)5)10-14(13)8-12;1-10(2)13-7-6-11-8-12(15(3,4)5)9-14(11)16-13;2*1-10(2)11-6-7-13-12(8-11)9-14(16-13)15(3,4)5;1-9(2)13-8-15-11-6-10(14(3,4)5)7-12(11)16-13;1-9(2)11-6-10-7-13(14(3,4)5)16-12(10)8-15-11;1-9(2)11-6-10-7-12(14(3,4)5)16-13(10)15-8-11;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)9-6-7-10-11(14-9)16-12(15-10)13(3,4)5;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/h6-9,11H,10H2,1-5H3;2*6-8,10H,9H2,1-5H3;6-10,16H,1-5H3;3*6,8-9H,7H2,1-5H3;5-10,15H,1-4H3;6-8H,1-5H3,(H,14,15,16);6-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyLOBJZHKRQNFMIH-UHFFFAOYSA-N
XLogP48.30
TPSA266.47 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002536.94
LogP ≤ 548.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 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
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
1,2-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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)c1cc2c(cn1)N=C(C(C)(C)C)C2.CC(C)c1ccc2[nH]c(C(C)(C)C)cc2c1.CC(C)c1ccc2[nH]c(C(C)(C)C)nc2n1.CC(C)c1ccc2c(C(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)CC(C(C)(C)C)=C2.CC(C)c1ccc2c(c1)CC(C(C)(C)C)=N2.CC(C)c1ccc2c(n1)CC(C(C)(C)C)=C2.CC(C)c1cnc2c(c1)CC(C(C)(C)C)=N2.CC(C)c1cnc2c(n1)CC(C(C)(C)C)=C2.CC(C)c1coc(C(C)C)n1.
What is the InChIKey of 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?
The InChIKey is LOBJZHKRQNFMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22.3C15H21N.3C14H20N2.C14H19N.C13H19N3.C10H17N.2C9H16N2.C9H15NO/c1-11(2)12-6-7-13-9-15(16(3,4)5)10-14(13)8-12;1-10(2)13-7-6-11-8-12(15(3,4)5)9-14(11)16-13;2*1-10(2)11-6-7-13-12(8-11)9-14(16-13)15(3,4)5;1-9(2)13-8-15-11-6-10(14(3,4)5)7-12(11)16-13;1-9(2)11-6-10-7-13(14(3,4)5)16-12(10)8-15-11;1-9(2)11-6-10-7-12(14(3,4)5)16-13(10)15-8-11;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-8(2)9-6-7-10-11(14-9)16-12(15-10)13(3,4)5;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/h6-9,11H,10H2,1-5H3;2*6-8,10H,9H2,1-5H3;6-10,16H,1-5H3;3*6,8-9H,7H2,1-5H3;5-10,15H,1-4H3;6-8H,1-5H3,(H,14,15,16);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 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?
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 has a molecular weight of 2536.94 g/mol, XLogP of 48.30, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159406839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).