3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene

C235H325Cl3FN23O10S — CID 159111160

IUPAC3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene
SMILESCC(C)C1CC1.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(N2CCCC2=O)c1.CC(C)c1cccc(N2CCCC2=O)n1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(Cl)c1.CCCC(C)C.CCCCCC(C)C.CCOc1ncc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1ccc(C(C)C)cc1F.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nn1.COc1ncc(C(C)C)cn1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.[C-]#[N+]c1cccc(C(C)C)c1
InChIInChI=1S/C15H14O.C14H18N2.C13H17NO.C12H16N2O.C12H17NO.C12H13N.C12H19N.C11H12N2.C11H14O.C10H13FO.C10H11N.C9H10Cl2.C9H14N2O.C9H13NO.C9H12.C8H10ClN.C8H13N3.2C8H12N2O.C8H11N.C8H18.C7H10S.C6H12.C6H14/c1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13(14)15;1-9(2)10-5-3-6-11(13-10)14-8-4-7-12(14)15;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-8(10)5-9(11)4-7;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)7-4-5-8(11-3)10-9-7;1-7(2)8-4-3-5-9-6-8;1-4-5-6-7-8(2)3;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-6;1-4-5-6(2)3/h3-10H,1-2H3;5-10H,1-4H3;3,5-6,9-10H,4,7-8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;5-9H,1-4H3;3-9H,1-2H3;5-8,10H,9H2,1-4H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;4-8H,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;4-6H,1-3H3,(H,9,10,11);2*4-6H,1-3H3;3-7H,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyKEMWHQFMADGLGT-UHFFFAOYSA-N
MW3789.76 g/mol
LogP65.80
Rot. Bonds41

About 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene

3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene (PubChem CID 159111160) has the molecular formula C235H325Cl3FN23O10S and a molecular weight of 3789.76 g/mol. Its IUPAC name is 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene.

Molecular Properties

Compound Name3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene
PubChem CID159111160
Molecular FormulaC235H325Cl3FN23O10S
Molecular Weight3789.76 g/mol
Exact Mass3785.44
IUPAC Name3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene
SMILESCC(C)C1CC1.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(N2CCCC2=O)c1.CC(C)c1cccc(N2CCCC2=O)n1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(Cl)c1.CCCC(C)C.CCCCCC(C)C.CCOc1ncc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1ccc(C(C)C)cc1F.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nn1.COc1ncc(C(C)C)cn1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.[C-]#[N+]c1cccc(C(C)C)c1
InChIInChI=1S/C15H14O.C14H18N2.C13H17NO.C12H16N2O.C12H17NO.C12H13N.C12H19N.C11H12N2.C11H14O.C10H13FO.C10H11N.C9H10Cl2.C9H14N2O.C9H13NO.C9H12.C8H10ClN.C8H13N3.2C8H12N2O.C8H11N.C8H18.C7H10S.C6H12.C6H14/c1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13(14)15;1-9(2)10-5-3-6-11(13-10)14-8-4-7-12(14)15;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-8(10)5-9(11)4-7;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)7-4-5-8(11-3)10-9-7;1-7(2)8-4-3-5-9-6-8;1-4-5-6-7-8(2)3;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-6;1-4-5-6(2)3/h3-10H,1-2H3;5-10H,1-4H3;3,5-6,9-10H,4,7-8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;5-9H,1-4H3;3-9H,1-2H3;5-8,10H,9H2,1-4H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;4-8H,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;4-6H,1-3H3,(H,9,10,11);2*4-6H,1-3H3;3-7H,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyKEMWHQFMADGLGT-UHFFFAOYSA-N
XLogP65.80
TPSA360.25 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003789.76
LogP ≤ 565.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;1,1,1-trifluoro-4-methylpentane
CID 157911052
CID 159402195
CID 159402195
bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
CID 159755399
2-chloro-1,4-dimethylbenzene;5-chloro-1-methylindole;N,4-dimethylaniline;1,4-dimethylpiperidine;1,4-dimethyl-2-(trifluoromethyl)benzene;ethane;bis(2-fluoro-1,4-dimethylbenzene);methane;2-methoxy-1,4-dimethylbenzene;1-[3-(methylamino)phenyl]ethanone;6-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;1-methylindole;1-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;2-methylthiophene;1-methyl-3-(trifluoromethyl)pyrazole;toluene;1,2,4-trimethylbenzene;bis(1,4-xylene)
CID 160477510
3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydrofuro[2,3-b]pyridine;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
CID 161912599
2-(4-chlorophenyl)-4-cyclopropyl-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-ethyl-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]quinazoline-7-carboxamide;2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3-pyridazin-4-ylpropyl)quinazoline-7-carboxamide
CID 157644064
2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine
CID 158169379
4-(3-chlorophenyl)-1,7-diethylpyrido[2,3-d]pyrimidin-2-one;4-(3-chlorophenyl)-1,6,7-triethylpyrido[2,3-d]pyrimidin-2-one;N-(3,5-dichloro-4-pyridinyl)-2-[2-ethyl-1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;N-(3,5-dichloro-4-pyridinyl)-2-(1-ethyl-5-hydroxyindol-3-yl)-2-oxoacetamide;1-ethyl-5-isocyanoindole;1-ethyl-2-(4-methoxyphenyl)benzimidazole;10-ethyl-12-methyl-5-thiophen-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 158269581
3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;2-propan-2-ylthiophene
CID 159560613
8-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-3-methoxy-1,5-naphthyridine;N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(2,2-dimethyl-3H-1-benzofuran-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 160141821
2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide;2-(5-chlorothiophen-2-yl)-4-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide;2-(5-chlorothiophen-2-yl)-4-ethoxy-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[(3-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-methylphenyl)quinoline-7-carboxamide
CID 160274460

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
The IUPAC name of 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene (CID 159111160) is 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene.
What is the SMILES notation for 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
The canonical SMILES for 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene is CC(C)C1CC1.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(N2CCCC2=O)c1.CC(C)c1cccc(N2CCCC2=O)n1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(Cl)c1.CCCC(C)C.CCCCCC(C)C.CCOc1ncc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1ccc(C(C)C)cc1F.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nn1.COc1ncc(C(C)C)cn1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.[C-]#[N+]c1cccc(C(C)C)c1.
What is the InChIKey of 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
The InChIKey is KEMWHQFMADGLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C14H18N2.C13H17NO.C12H16N2O.C12H17NO.C12H13N.C12H19N.C11H12N2.C11H14O.C10H13FO.C10H11N.C9H10Cl2.C9H14N2O.C9H13NO.C9H12.C8H10ClN.C8H13N3.2C8H12N2O.C8H11N.C8H18.C7H10S.C6H12.C6H14/c1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13(14)15;1-9(2)10-5-3-6-11(13-10)14-8-4-7-12(14)15;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-8(10)5-9(11)4-7;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-9-8(11-3)10-5-7;1-6(2)7-4-5-8(11-3)10-9-7;1-7(2)8-4-3-5-9-6-8;1-4-5-6-7-8(2)3;1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-6;1-4-5-6(2)3/h3-10H,1-2H3;5-10H,1-4H3;3,5-6,9-10H,4,7-8H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;5-9H,1-4H3;3-9H,1-2H3;5-8,10H,9H2,1-4H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;4-7H,1-3H3;4-8H,1-2H3;3-6H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;4-6H,1-3H3,(H,9,10,11);2*4-6H,1-3H3;3-7H,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3;6H,4-5H2,1-3H3.
What are the key properties of 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene has a molecular weight of 3789.76 g/mol, XLogP of 65.80, 41 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-ylpyridine;cumene;1,3-dichloro-5-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-isocyano-3-propan-2-ylbenzene;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;2-methylheptane;2-methylpentane;N-methyl-5-propan-2-ylpyrimidin-2-amine;propan-2-ylcyclopropane;3-propan-2-yldibenzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;1-(3-propan-2-ylphenyl)pyrrolidin-2-one;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene is sourced from PubChem (CID 159111160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).