3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C231H297BrClF7N38 — CID 158828415

IUPAC3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/3C12H15N.C12H13N.C12H14.2C11H14N2.2C11H13N.2C10H12N2.C9H11N3.C9H15N3.2C9H13N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;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;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-7(2)9-10-5-8(6-11-9)12(3)4;2*1-7(2)9-4-8(3)5-10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-5(2)7-9-3-6(8)4-10-7/h3*4-9H,1-3H3;3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;2*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*4-6H,1-3H3;3-5H,8H2,1-2H3
InChIKeyIWSXIEDIZRCOIJ-UHFFFAOYSA-N
MW3854.53 g/mol
LogP63.08
Rot. Bonds25

About 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 158828415) has the molecular formula C231H297BrClF7N38 and a molecular weight of 3854.53 g/mol. Its IUPAC name is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID158828415
Molecular FormulaC231H297BrClF7N38
Molecular Weight3854.53 g/mol
Exact Mass3850.32
IUPAC Name3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/3C12H15N.C12H13N.C12H14.2C11H14N2.2C11H13N.2C10H12N2.C9H11N3.C9H15N3.2C9H13N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;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;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-7(2)9-10-5-8(6-11-9)12(3)4;2*1-7(2)9-4-8(3)5-10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-5(2)7-9-3-6(8)4-10-7/h3*4-9H,1-3H3;3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;2*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*4-6H,1-3H3;3-5H,8H2,1-2H3
InChIKeyIWSXIEDIZRCOIJ-UHFFFAOYSA-N
XLogP63.08
TPSA468.00 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003854.53
LogP ≤ 563.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

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CID 145308173
3-[4-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]-7-[2-[4-[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]piperazin-1-yl]propyl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-7-ium
CID 145664852
N-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-[[2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]methyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 154939197
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
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6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 157213669
CID 157227137
CID 157227137
3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-ethyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
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1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157378604
CID 157491628
CID 157491628
3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-[2-(trifluoromethyl)phenyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[(2-phenylquinolin-3-yl)methyl]-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157619872
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;2-[3-chloro-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3-chloro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
CID 157846236
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;bis(3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazo[4,5-h]quinoline);2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-h][1,7]naphthyridine
CID 157895805

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 158828415) is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is IWSXIEDIZRCOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N.C12H13N.C12H14.2C11H14N2.2C11H13N.2C10H12N2.C9H11N3.C9H15N3.2C9H13N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;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;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-7(2)9-10-5-8(6-11-9)12(3)4;2*1-7(2)9-4-8(3)5-10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-5(2)7-9-3-6(8)4-10-7/h3*4-9H,1-3H3;3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;2*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*4-6H,1-3H3;3-5H,8H2,1-2H3.
What are the key properties of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 3854.53 g/mol, XLogP of 63.08, 25 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158828415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).