cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C241H384N32O9S7 — CID 159246412

IUPACcumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C1CC1.CC(C)c1cc2ccncc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2s1.CC(C)c1cc2cncnc2o1.CC(C)c1cc2cnncc2s1.CC(C)c1cc2ncccc2o1.CC(C)c1cc2nccnc2o1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cnncc2o1.CC(C)c1nc2cnncc2s1
InChIInChI=1S/4C10H11NO.C10H11NS.3C9H10N2O.2C9H10N2S.C9H12.2C8H9N3O.C8H9N3S.3C8H11N.2C7H10N2.2C7H10S.C6H9NS.C6H12.C4H10.22C2H6.CH4/c2*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)10-6-8-9(12-10)4-3-5-11-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)8-5-7-9(12-8)11-4-3-10-7;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)8-3-7-4-10-11-5-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-11-6-3-9-4-10-8(6)12-7;2*1-5(2)8-11-6-3-9-10-4-7(6)12-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-4(2)3;22*1-2;/h5*3-7H,1-2H3;5*3-6H,1-2H3;3-8H,1-2H3;3*3-5H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;22*1-2H3;1H4
InChIKeyKUSUGOVHXFJTSE-UHFFFAOYSA-N
MW4098.41 g/mol
LogP81.15
Rot. Bonds23

About cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 159246412) has the molecular formula C241H384N32O9S7 and a molecular weight of 4098.41 g/mol. Its IUPAC name is cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID159246412
Molecular FormulaC241H384N32O9S7
Molecular Weight4098.41 g/mol
Exact Mass4094.86
IUPAC Namecumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C1CC1.CC(C)c1cc2ccncc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2s1.CC(C)c1cc2cncnc2o1.CC(C)c1cc2cnncc2s1.CC(C)c1cc2ncccc2o1.CC(C)c1cc2nccnc2o1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cnncc2o1.CC(C)c1nc2cnncc2s1
InChIInChI=1S/4C10H11NO.C10H11NS.3C9H10N2O.2C9H10N2S.C9H12.2C8H9N3O.C8H9N3S.3C8H11N.2C7H10N2.2C7H10S.C6H9NS.C6H12.C4H10.22C2H6.CH4/c2*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)10-6-8-9(12-10)4-3-5-11-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)8-5-7-9(12-8)11-4-3-10-7;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)8-3-7-4-10-11-5-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-11-6-3-9-4-10-8(6)12-7;2*1-5(2)8-11-6-3-9-10-4-7(6)12-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-4(2)3;22*1-2;/h5*3-7H,1-2H3;5*3-6H,1-2H3;3-8H,1-2H3;3*3-5H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;22*1-2H3;1H4
InChIKeyKUSUGOVHXFJTSE-UHFFFAOYSA-N
XLogP81.15
TPSA530.74 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds23
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004098.41
LogP ≤ 581.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfinyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 158397330
CID 158736564
CID 158736564
CID 159771776
CID 159771776
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
CID 160387927
CID 160387927
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
2-[3-(1,1-Difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-phenyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 161754564
2-Cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 162231162
5-(1,3-benzothiazol-5-yl)-N-[(1S)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzothiazol-5-yl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(furan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyanofuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-isocyanothiophen-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164107750
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 159246412) is cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C1CC1.CC(C)c1cc2ccncc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2o1.CC(C)c1cc2cnccc2s1.CC(C)c1cc2cncnc2o1.CC(C)c1cc2cnncc2s1.CC(C)c1cc2ncccc2o1.CC(C)c1cc2nccnc2o1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1nc2cnccc2o1.CC(C)c1nc2cnccc2s1.CC(C)c1nc2cncnc2o1.CC(C)c1nc2cnncc2o1.CC(C)c1nc2cnncc2s1.
What is the InChIKey of cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is KUSUGOVHXFJTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H11NO.C10H11NS.3C9H10N2O.2C9H10N2S.C9H12.2C8H9N3O.C8H9N3S.3C8H11N.2C7H10N2.2C7H10S.C6H9NS.C6H12.C4H10.22C2H6.CH4/c2*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)10-6-8-9(12-10)4-3-5-11-8;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-6(2)8-3-7-4-10-5-11-9(7)12-8;1-6(2)8-5-7-9(12-8)11-4-3-10-7;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-6(2)8-3-7-4-10-11-5-9(7)12-8;1-6(2)9-11-7-5-10-4-3-8(7)12-9;1-8(2)9-6-4-3-5-7-9;1-5(2)7-11-6-3-9-4-10-8(6)12-7;2*1-5(2)8-11-6-3-9-10-4-7(6)12-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-6;1-4(2)3;22*1-2;/h5*3-7H,1-2H3;5*3-6H,1-2H3;3-8H,1-2H3;3*3-5H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;4H,1-3H3;22*1-2H3;1H4.
What are the key properties of cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 4098.41 g/mol, XLogP of 81.15, 23 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methane;2-methylpropane;propan-2-ylcyclopropane;6-propan-2-ylfuro[2,3-b]pyrazine;2-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-ylfuro[2,3-c]pyridine;bis(2-propan-2-ylfuro[3,2-c]pyridine);6-propan-2-ylfuro[2,3-d]pyrimidine;2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazine;2-propan-2-ylthieno[3,2-c]pyridine;2-propan-2-ylthieno[2,3-d]pyridazine;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 159246412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).