1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine

C143H170N20O7S6 — CID 158970489

IUPAC1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc(-c2cnn(C)c2)on1.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(C2=CC=NC2)cc1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)CC(=O)CS2.CCn1c(=O)c(C)nc2cc(C(C)C)ccc21.COc1ncc(-c2ccc(C(C)C)s2)cn1.Cc1c(-c2cc(C(C)C)[nH]n2)cnn1C.Cc1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/C14H18N2O.C13H15N.C12H14N2OS.C12H14N2O.C12H14N2S.C12H13NO.2C12H13NS.C12H14OS.C11H16N4.C11H13NOS.C10H13N3O/c1-5-16-13-7-6-11(9(2)3)8-12(13)15-10(4)14(16)17;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-8(2)10-4-5-11(16-10)9-6-13-12(15-3)14-7-9;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-7(2)10-5-11(14-13-10)9-6-12-15(4)8(9)3;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-4-10(14-12-9)8-5-11-13(3)6-8/h6-9H,5H2,1-4H3;3-8,10H,9H2,1-2H3;4-8H,1-3H3;3-7,14H,1-2H3,(H2,13,15);3-8H,1-2H3,(H2,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,1-4H3,(H,13,14);2*4-7H,1-3H3
InChIKeyJNTDXGIIJHLOSP-UHFFFAOYSA-N
MW2473.47 g/mol
LogP37.19
Rot. Bonds23

About 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine

1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine (PubChem CID 158970489) has the molecular formula C143H170N20O7S6 and a molecular weight of 2473.47 g/mol. Its IUPAC name is 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
PubChem CID158970489
Molecular FormulaC143H170N20O7S6
Molecular Weight2473.47 g/mol
Exact Mass2471.19
IUPAC Name1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine
SMILESCC(C)c1cc(-c2cnn(C)c2)on1.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(C2=CC=NC2)cc1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)CC(=O)CS2.CCn1c(=O)c(C)nc2cc(C(C)C)ccc21.COc1ncc(-c2ccc(C(C)C)s2)cn1.Cc1c(-c2cc(C(C)C)[nH]n2)cnn1C.Cc1ncc(-c2ccc(C(C)C)s2)o1
InChIInChI=1S/C14H18N2O.C13H15N.C12H14N2OS.C12H14N2O.C12H14N2S.C12H13NO.2C12H13NS.C12H14OS.C11H16N4.C11H13NOS.C10H13N3O/c1-5-16-13-7-6-11(9(2)3)8-12(13)15-10(4)14(16)17;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-8(2)10-4-5-11(16-10)9-6-13-12(15-3)14-7-9;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-7(2)10-5-11(14-13-10)9-6-12-15(4)8(9)3;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-4-10(14-12-9)8-5-11-13(3)6-8/h6-9H,5H2,1-4H3;3-8,10H,9H2,1-2H3;4-8H,1-3H3;3-7,14H,1-2H3,(H2,13,15);3-8H,1-2H3,(H2,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,1-4H3,(H,13,14);2*4-7H,1-3H3
InChIKeyJNTDXGIIJHLOSP-UHFFFAOYSA-N
XLogP37.19
TPSA372.14 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002473.47
LogP ≤ 537.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine with MolForge

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Related Compounds

2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;7-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 159352187
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
3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;bis(3,4-dimethylpyridine);2,4-dimethylpyrimidine;ethane;9-ethylcarbazole;4-ethylpiperidine;9H-fluorene;1H-indene;isoquinoline;2-methoxy-4-methylpyridine;9-methylacridine;bis(5-methyl-1H-imidazole);2-methyl-1H-indene;2-methyl-1,3-oxazole;5-methyl-1,10-phenanthroline;4-methylpiperidine;2-methylpyrazine;4-methylpyridine;3-methyl-1H-pyrrole;2-methylquinoline;2-methyl-1,3-thiazole;2-methyl-1,3,5-triazine;4-methyl-2-(trifluoromethyl)pyridine;7H-purine;pyrazine;1H-pyrazolo[3,4-d]pyrimidine;pyrimidine;1H-pyrimidin-6-one;quinoline;quinoxaline;2,4,6-trimethylpyridine
CID 161592453
2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;7-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 161873891
2-cyclopropyl-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylindazole;5-methyl-2-propan-2-yl-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 162242401
8aH-acridin-9-one;1-benzothiophene;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltriazole;1H-pyrazolo[4,5-b]pyridine;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300074
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltetrazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300075
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
2-[7-(furan-2-yl)-1-(1H-indol-2-yl)-3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-thiophen-2-ylisoindol-2-yl]-1,3-oxazole
CID 141049907
2-[8-(1-benzofuran-2-yl)-4a-(1-benzothiophen-2-yl)-7-(1H-benzotriazol-4-yl)-6-(furan-2-yl)-4,8-bis(1H-indol-2-yl)-6-isoquinolin-1-yl-4-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-8a-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7-quinolin-2-yl-1-(3-quinoxalin-2-yl-1H-pyrrol-2-yl)-5-thiophen-2-ylquinolin-5-yl]-1,3-oxazole
CID 141247465
2-[4-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-isoindol-1-yl)-2-(furan-2-yl)-7-(1,2-oxazol-3-yl)-3-phenyl-6-(1H-pyrazol-3-yl)-5-thiophen-2-ylbenzimidazol-1-yl]-1,3-oxazole
CID 141442674

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The IUPAC name of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine (CID 158970489) is 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine.
What is the SMILES notation for 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The canonical SMILES for 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine is CC(C)c1cc(-c2cnn(C)c2)on1.CC(C)c1cc2ccc(C(N)=O)cc2[nH]1.CC(C)c1ccc(-c2ccc(N)nc2)s1.CC(C)c1ccc(-c2cccnc2)s1.CC(C)c1ccc(-c2ccncc2)s1.CC(C)c1ccc(C2=CC=NC2)cc1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)CC(=O)CS2.CCn1c(=O)c(C)nc2cc(C(C)C)ccc21.COc1ncc(-c2ccc(C(C)C)s2)cn1.Cc1c(-c2cc(C(C)C)[nH]n2)cnn1C.Cc1ncc(-c2ccc(C(C)C)s2)o1.
What is the InChIKey of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
The InChIKey is JNTDXGIIJHLOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H15N.C12H14N2OS.C12H14N2O.C12H14N2S.C12H13NO.2C12H13NS.C12H14OS.C11H16N4.C11H13NOS.C10H13N3O/c1-5-16-13-7-6-11(9(2)3)8-12(13)15-10(4)14(16)17;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-8(2)10-4-5-11(16-10)9-6-13-12(15-3)14-7-9;1-7(2)10-5-8-3-4-9(12(13)15)6-11(8)14-10;1-8(2)10-4-5-11(15-10)9-3-6-12(13)14-7-9;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-9(2)11-3-4-12(14-11)10-5-7-13-8-6-10;1-9(2)11-5-6-12(14-11)10-4-3-7-13-8-10;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-7(2)10-5-11(14-13-10)9-6-12-15(4)8(9)3;1-7(2)10-4-5-11(14-10)9-6-12-8(3)13-9;1-7(2)9-4-10(14-12-9)8-5-11-13(3)6-8/h6-9H,5H2,1-4H3;3-8,10H,9H2,1-2H3;4-8H,1-3H3;3-7,14H,1-2H3,(H2,13,15);3-8H,1-2H3,(H2,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,1-4H3,(H,13,14);2*4-7H,1-3H3.
What are the key properties of 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine?
1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine has a molecular weight of 2473.47 g/mol, XLogP of 37.19, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole;1-ethyl-3-methyl-6-propan-2-ylquinoxalin-2-one;2-methoxy-5-(5-propan-2-ylthiophen-2-yl)pyrimidine;2-methyl-5-(5-propan-2-ylthiophen-2-yl)-1,3-oxazole;5-(1-methylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1H-indole-6-carboxamide;3-(4-propan-2-ylphenyl)-2H-pyrrole;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-4H-thiochromen-3-one;5-(5-propan-2-ylthiophen-2-yl)pyridin-2-amine;3-(5-propan-2-ylthiophen-2-yl)pyridine;4-(5-propan-2-ylthiophen-2-yl)pyridine is sourced from PubChem (CID 158970489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).