4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)

C245H305ClFN31O4S2 — CID 158332651

IUPAC4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)
SMILESC.C.C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1COc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1=CCN=C1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1Cl.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C14H19NO.C13H14FN.C13H17N.C13H15N.C12H15NO.C12H15N.3C11H14N2.2C11H13NO.2C11H13NS.2C11H13N.C10H11ClN2.5C10H12N2.C7H11N.2CH4/c1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;3*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9;2*1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-4-8-5-7;;/h6-9,15H,3H2,1-2,4-5H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-6,8,13H,3,7H2,1-2H3;4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13);4-7,12H,3H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;4-7,12H,3H2,1-2H3;2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);5*3-7H,1-2H3,(H,11,12);3,5-6H,4H2,1-2H3;2*1H4
InChIKeyGQEUKAMNRMDSMJ-UHFFFAOYSA-N
MW3866.93 g/mol
LogP70.21
Rot. Bonds22

About 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)

4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine) (PubChem CID 158332651) has the molecular formula C245H305ClFN31O4S2 and a molecular weight of 3866.93 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine).

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)
PubChem CID158332651
Molecular FormulaC245H305ClFN31O4S2
Molecular Weight3866.93 g/mol
Exact Mass3863.37
IUPAC Name4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)
SMILESC.C.C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1COc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1=CCN=C1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1Cl.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1nc2ccc(C(C)C)cc2s1
InChIInChI=1S/C14H19NO.C13H14FN.C13H17N.C13H15N.C12H15NO.C12H15N.3C11H14N2.2C11H13NO.2C11H13NS.2C11H13N.C10H11ClN2.5C10H12N2.C7H11N.2CH4/c1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;3*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9;2*1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-4-8-5-7;;/h6-9,15H,3H2,1-2,4-5H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-6,8,13H,3,7H2,1-2H3;4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13);4-7,12H,3H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;4-7,12H,3H2,1-2H3;2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);5*3-7H,1-2H3,(H,11,12);3,5-6H,4H2,1-2H3;2*1H4
InChIKeyGQEUKAMNRMDSMJ-UHFFFAOYSA-N
XLogP70.21
TPSA471.74 Ų
H-Bond Donors20
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003866.93
LogP ≤ 570.21
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1024

Analyze 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine) with MolForge

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Related Compounds

CID 161147666
CID 161147666
5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
CID 165043559
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157177145
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157446652
4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-6-propan-2-yl-1H-3,1-benzoxazin-2-one;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)
CID 157524010
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157872815
2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1,6-dimethylindazole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158091793
ethane;6-ethyl-1H-benzimidazole;5-ethyl-1,3-benzothiazole;7-ethyl-4H-1,4-benzoxazin-3-one;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-1,3-dihydroindol-2-one;5-ethyl-1H-pyrazolo[5,4-b]pyridine;3-ethylpyridine;5-ethyl-1H-pyrrolo[2,3-b]pyridine;6-ethylquinoxaline
CID 158189176
3-chloro-5-propan-2-yl-2H-indazole;4-chloro-5-propan-2-yl-1H-indole;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methyl-6-propan-2-yl-1,3-benzothiazole;bis(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indazole;4-methyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-3-ium;bis(6-propan-2-yl-1H-benzimidazole);6-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 158257278
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158424167
6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158468294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)?
The IUPAC name of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine) (CID 158332651) is 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine).
What is the SMILES notation for 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)?
The canonical SMILES for 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine) is C.C.C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1COc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2O1.C=C1Nc2ccc(C(C)C)cc2S1.CC(C)C1=CCN=C1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1Cl.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ccc2c1.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1nc2ccc(C(C)C)cc2s1.
What is the InChIKey of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)?
The InChIKey is GQEUKAMNRMDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H14FN.C13H17N.C13H15N.C12H15NO.C12H15N.3C11H14N2.2C11H13NO.2C11H13NS.2C11H13N.C10H11ClN2.5C10H12N2.C7H11N.2CH4/c1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)14-7-9(3)13-11;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;3*1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9;2*1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-6(2)7-3-4-8-5-7;;/h6-9,15H,3H2,1-2,4-5H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-6,8,13H,3,7H2,1-2H3;4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13);4-7,12H,3H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;4-7,12H,3H2,1-2H3;2*3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);5*3-7H,1-2H3,(H,11,12);3,5-6H,4H2,1-2H3;2*1H4.
What are the key properties of 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine)?
4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine) has a molecular weight of 3866.93 g/mol, XLogP of 70.21, 22 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-1H-indazole;4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;methane;2-methylidene-6-propan-2-yl-3H-1,3-benzothiazole;3-methylidene-7-propan-2-yl-4H-1,4-benzoxazine;2-methylidene-6-propan-2-yl-3H-1,3-benzoxazole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoline;2-methyl-6-propan-2-yl-1,3-benzothiazole;tris(3-methyl-5-propan-2-yl-2H-indazole);7-methyl-5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine) is sourced from PubChem (CID 158332651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).