1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine

C262H308N64O5S7 — CID 157420701

IUPAC1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2n1C.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2cncnc2[nH]1.CC(C)c1cc2ncccc2[nH]1.CC(C)c1cc2nccnc2[nH]1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nc2ncccc2s1.CC(C)c1nc2nccnc2[nH]1.CC(C)c1nc2nccnc2s1.CC(C)c1nc2ncncc2[nH]1
InChIInChI=1S/C12H15N.C11H14N2.C11H13N.5C10H12N2.C10H11NO.C10H11NS.6C9H11N3.4C9H10N2O.4C9H10N2S.2C8H10N4.2C8H9N3S/c1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)10-7-9-5-4-6-12-11(9)13(10)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)7-5-8-9(12-7)11-4-3-10-8;2*1-6(2)9-11-7-3-4-10-5-8(7)12-9;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)6-11-7-8(12-6)10-4-3-9-7;1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)7-11-6-8(12-7)10-4-3-9-6/h4-9H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3*3-7,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);8*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);2*3-5H,1-2H3
InChIKeyBPJFESWTQPNOCI-UHFFFAOYSA-N
MW4658.26 g/mol
LogP69.60
Rot. Bonds28

About 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine

1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 157420701) has the molecular formula C262H308N64O5S7 and a molecular weight of 4658.26 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID157420701
Molecular FormulaC262H308N64O5S7
Molecular Weight4658.26 g/mol
Exact Mass4654.39
IUPAC Name1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2n1C.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2cncnc2[nH]1.CC(C)c1cc2ncccc2[nH]1.CC(C)c1cc2nccnc2[nH]1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nc2ncccc2s1.CC(C)c1nc2nccnc2[nH]1.CC(C)c1nc2nccnc2s1.CC(C)c1nc2ncncc2[nH]1
InChIInChI=1S/C12H15N.C11H14N2.C11H13N.5C10H12N2.C10H11NO.C10H11NS.6C9H11N3.4C9H10N2O.4C9H10N2S.2C8H10N4.2C8H9N3S/c1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)10-7-9-5-4-6-12-11(9)13(10)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)7-5-8-9(12-7)11-4-3-10-8;2*1-6(2)9-11-7-3-4-10-5-8(7)12-9;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)6-11-7-8(12-6)10-4-3-9-7;1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)7-11-6-8(12-7)10-4-3-9-6/h4-9H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3*3-7,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);8*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);2*3-5H,1-2H3
InChIKeyBPJFESWTQPNOCI-UHFFFAOYSA-N
XLogP69.60
TPSA915.34 Ų
H-Bond Donors14
H-Bond Acceptors62
Rotatable Bonds28
Heavy Atoms338
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004658.26
LogP ≤ 569.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1062

Analyze 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine with MolForge

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What is the IUPAC name of 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine (CID 157420701) is 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine is CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2n1C.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2cncnc2[nH]1.CC(C)c1cc2ncccc2[nH]1.CC(C)c1cc2nccnc2[nH]1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2[nH]1.CC(C)c1nc2ccncc2s1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nc2ncccc2s1.CC(C)c1nc2nccnc2[nH]1.CC(C)c1nc2nccnc2s1.CC(C)c1nc2ncncc2[nH]1.
What is the InChIKey of 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is BPJFESWTQPNOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H14N2.C11H13N.5C10H12N2.C10H11NO.C10H11NS.6C9H11N3.4C9H10N2O.4C9H10N2S.2C8H10N4.2C8H9N3S/c1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)10-7-9-5-4-6-12-11(9)13(10)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)7-5-8-9(12-7)11-4-3-10-8;2*1-6(2)9-11-7-3-4-10-5-8(7)12-9;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)6-11-7-8(12-6)10-4-3-9-7;1-5(2)7-11-6-3-9-4-10-8(6)12-7;1-5(2)7-11-6-8(12-7)10-4-3-9-6/h4-9H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3*3-7,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);8*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);2*3-5H,1-2H3.
What are the key properties of 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine?
1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 4658.26 g/mol, XLogP of 69.60, 28 rotatable bonds, 14 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 157420701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).