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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C242H318BrClF7N48O2+ — CID 161164963

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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc[n+](C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.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)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.CC(C)c1noc(-c2ccncc2)n1.COc1ccc(C(C)C)cn1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.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/C12H15N3.C12H15N.C12H13N.C11H13N3.C11H14N2.C11H13N.C10H12N4.C10H11N3O.C10H12N2.C9H11N3.C9H15N3.C9H13NO.4C9H13N.C9H14N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)9-5-8-3-4-11-10(8)12-6-9;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;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;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/h4-8H,1-3H3,(H,13,14,15);4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);4-8H,1-3H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;4-7H,1-3H3;4*4-7H,1-3H3;4-8H,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/q;;;;;;;;;;;;;;;;+1;;;;;;;;;
InChIKeyUQKDXZPPAHGFIT-UHFFFAOYSA-N
MW4179.88 g/mol
LogP63.04
Rot. Bonds32

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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 161164963) has the molecular formula C242H318BrClF7N48O2+ and a molecular weight of 4179.88 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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID161164963
Molecular FormulaC242H318BrClF7N48O2+
Molecular Weight4179.88 g/mol
Exact Mass4175.50
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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc[n+](C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.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)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.CC(C)c1noc(-c2ccncc2)n1.COc1ccc(C(C)C)cn1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.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/C12H15N3.C12H15N.C12H13N.C11H13N3.C11H14N2.C11H13N.C10H12N4.C10H11N3O.C10H12N2.C9H11N3.C9H15N3.C9H13NO.4C9H13N.C9H14N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)9-5-8-3-4-11-10(8)12-6-9;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;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;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/h4-8H,1-3H3,(H,13,14,15);4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);4-8H,1-3H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;4-7H,1-3H3;4*4-7H,1-3H3;4-8H,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/q;;;;;;;;;;;;;;;;+1;;;;;;;;;
InChIKeyUQKDXZPPAHGFIT-UHFFFAOYSA-N
XLogP63.04
TPSA637.04 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004179.88
LogP ≤ 563.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;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 157408430
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157698442
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indene;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 158108063
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;1-propylpyrazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159644367
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-methyl-5-(trifluoromethyl)pyrazole;1,6-naphthyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 160829461
CID 160868839
CID 160868839
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzotriazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-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;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 161926717
2-(4-chlorophenyl)-4-[(1R)-1-fluoropropyl]-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-3-fluoro-2-(4-fluorophenyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(2-methyl-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
CID 162153483

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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 161164963) 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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1ccc[n+](C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.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)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(-c2ccncc2)n[nH]1.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.CC(C)c1noc(-c2ccncc2)n1.COc1ccc(C(C)C)cn1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is UQKDXZPPAHGFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C12H15N.C12H13N.C11H13N3.C11H14N2.C11H13N.C10H12N4.C10H11N3O.C10H12N2.C9H11N3.C9H15N3.C9H13NO.4C9H13N.C9H14N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-7(2)9-5-8-3-4-11-10(8)12-6-9;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;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-5-4-6-10(3)7-9;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/h4-8H,1-3H3,(H,13,14,15);4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3,(H,12,13,14);4-8H,1-3H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;4-7H,1-3H3;4*4-7H,1-3H3;4-8H,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/q;;;;;;;;;;;;;;;;+1;;;;;;;;;.
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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 4179.88 g/mol, XLogP of 63.04, 32 rotatable bonds, 7 hydrogen bond donors, and 43 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;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 161164963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).