cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

C258H497N45OS5 — CID 159170932

IUPACcumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1nccn1C.CC(C)c1ncnc2ccsc12.CC(C)c1ncnc2sccc12.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2c1CCCC2.CC(C)n1ncc2ccccc21.CC(C)n1nccn1.Cc1snnc1C(C)C
InChIInChI=1S/C11H15N.C11H13N.C10H12N2.C10H16N2.C10H12N2.2C9H10N2S.C9H12.C8H10N4.C8H11NO.2C8H11N.3C7H12N2.C7H11N.2C7H10S.C6H10N2S.2C6H10N2.3C5H9N3.C4H8N4.25C2H6.18CH4/c2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-7-3-4-12-9(7)11-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)9-8-7-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;25*1-2;;;;;;;;;;;;;;;;;;/h3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;4H,1-3H3;2*3-6H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;25*1-2H3;18*1H4
InChIKeyKLRHHGHSFOUSDU-UHFFFAOYSA-N
MW4406.46 g/mol
LogP86.22
Rot. Bonds25

About cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 159170932) has the molecular formula C258H497N45OS5 and a molecular weight of 4406.46 g/mol. Its IUPAC name is cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Namecumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
PubChem CID159170932
Molecular FormulaC258H497N45OS5
Molecular Weight4406.46 g/mol
Exact Mass4402.88
IUPAC Namecumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1nccn1C.CC(C)c1ncnc2ccsc12.CC(C)c1ncnc2sccc12.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2c1CCCC2.CC(C)n1ncc2ccccc21.CC(C)n1nccn1.Cc1snnc1C(C)C
InChIInChI=1S/C11H15N.C11H13N.C10H12N2.C10H16N2.C10H12N2.2C9H10N2S.C9H12.C8H10N4.C8H11NO.2C8H11N.3C7H12N2.C7H11N.2C7H10S.C6H10N2S.2C6H10N2.3C5H9N3.C4H8N4.25C2H6.18CH4/c2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-7-3-4-12-9(7)11-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)9-8-7-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;25*1-2;;;;;;;;;;;;;;;;;;/h3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;4H,1-3H3;2*3-6H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;25*1-2H3;18*1H4
InChIKeyKLRHHGHSFOUSDU-UHFFFAOYSA-N
XLogP86.22
TPSA460.11 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds25
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004406.46
LogP ≤ 586.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole with MolForge

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Related Compounds

3-(1H-benzimidazol-2-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;N-[[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-cyclopentylmethanamine;3-(1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine;3-methyl-N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157087490
6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 158591199
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 158964881
1-cyclopentyl-N-[[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;5-pyrimidin-5-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 160019057
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 160370537
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;(4-propan-2-ylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 160463792
3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 161533387
[4-[12-Fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;[4-[12-fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 87113537
3-methyl-N-[5-[7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 137122407
3-methyl-N-[5-[7-[5-methyl-2-[2-[5-(3-methyl-6-methylideneocta-2,4-dien-4-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 137141276

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
The IUPAC name of cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (CID 159170932) is cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1nccn1C.CC(C)c1ncnc2ccsc12.CC(C)c1ncnc2sccc12.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2c1CCCC2.CC(C)n1ncc2ccccc21.CC(C)n1nccn1.Cc1snnc1C(C)C.
What is the InChIKey of cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
The InChIKey is KLRHHGHSFOUSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C11H13N.C10H12N2.C10H16N2.C10H12N2.2C9H10N2S.C9H12.C8H10N4.C8H11NO.2C8H11N.3C7H12N2.C7H11N.2C7H10S.C6H10N2S.2C6H10N2.3C5H9N3.C4H8N4.25C2H6.18CH4/c2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-7-3-4-12-9(7)11-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-7(2)9-6-4-3-5-8(9)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)6-5(3)9-8-7-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;25*1-2;;;;;;;;;;;;;;;;;;/h3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;4H,1-3H3;2*3-6H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;25*1-2H3;18*1H4.
What are the key properties of cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 4406.46 g/mol, XLogP of 86.22, 25 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;1-propan-2-yl-2,3-dihydroindole;1-propan-2-ylimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 159170932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).