3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine

C181H204F9N37O7S2 — CID 158450050

IUPAC3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
SMILESCC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccccc1F.CC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2ccnc3c2ccn3C)nc1.CC(C)c1cnc(-c2cncnc2)nc1.CC(C)c1cnc(-n2ccc3cccnc32)nc1.CC(C)c1cnc(-n2ncc3ccccc32)nc1.Cc1cc(C#N)cnc1C(C)C.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1
InChIInChI=1S/C15H16N4.C15H15N3O.2C14H14N4.C14H13N3S.C12H16N4.C12H15N3O.C11H12N4.C10H10F4O.C10H12N2.C9H10F3NO.2C9H11F.C9H12N2O.C9H10N2.C9H13NO2S/c1-10(2)11-8-17-14(18-9-11)12-4-6-16-15-13(12)5-7-19(15)3;1-9(2)10-7-16-15(17-8-10)11-4-3-5-13-12(11)6-14(19)18-13;1-10(2)12-8-16-14(17-9-12)18-7-5-11-4-3-6-15-13(11)18;1-10(2)12-7-15-14(16-8-12)18-13-6-4-3-5-11(13)9-17-18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)10-8(3)4-9(5-11)6-12-10;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-4-8(6-10-9)13(3,11)12/h4-10H,1-3H3;3-5,7-9H,6H2,1-2H3,(H,18,19);2*3-10H,1-2H3;3-9H,1-2H3;5-8H,1-4H3;5-7H,1-4H3;3-8H,1-2H3;3-6H,1-2H3;4,6-7H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;4-7H,1-3H3
InChIKeyHDWFUHSPFAQNSH-UHFFFAOYSA-N
MW3244.99 g/mol
LogP43.22
Rot. Bonds28

About 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine

3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine (PubChem CID 158450050) has the molecular formula C181H204F9N37O7S2 and a molecular weight of 3244.99 g/mol. Its IUPAC name is 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
PubChem CID158450050
Molecular FormulaC181H204F9N37O7S2
Molecular Weight3244.99 g/mol
Exact Mass3242.60
IUPAC Name3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
SMILESCC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccccc1F.CC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2ccnc3c2ccn3C)nc1.CC(C)c1cnc(-c2cncnc2)nc1.CC(C)c1cnc(-n2ccc3cccnc32)nc1.CC(C)c1cnc(-n2ncc3ccccc32)nc1.Cc1cc(C#N)cnc1C(C)C.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1
InChIInChI=1S/C15H16N4.C15H15N3O.2C14H14N4.C14H13N3S.C12H16N4.C12H15N3O.C11H12N4.C10H10F4O.C10H12N2.C9H10F3NO.2C9H11F.C9H12N2O.C9H10N2.C9H13NO2S/c1-10(2)11-8-17-14(18-9-11)12-4-6-16-15-13(12)5-7-19(15)3;1-9(2)10-7-16-15(17-8-10)11-4-3-5-13-12(11)6-14(19)18-13;1-10(2)12-8-16-14(17-9-12)18-7-5-11-4-3-6-15-13(11)18;1-10(2)12-7-15-14(16-8-12)18-13-6-4-3-5-11(13)9-17-18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)10-8(3)4-9(5-11)6-12-10;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-4-8(6-10-9)13(3,11)12/h4-10H,1-3H3;3-5,7-9H,6H2,1-2H3,(H,18,19);2*3-10H,1-2H3;3-9H,1-2H3;5-8H,1-4H3;5-7H,1-4H3;3-8H,1-2H3;3-6H,1-2H3;4,6-7H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;4-7H,1-3H3
InChIKeyHDWFUHSPFAQNSH-UHFFFAOYSA-N
XLogP43.22
TPSA579.04 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds28
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003244.99
LogP ≤ 543.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine (CID 158450050) is 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine is CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccccc1F.CC(C)c1cnc(-c2ccc3ncsc3c2)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2ccnc3c2ccn3C)nc1.CC(C)c1cnc(-c2cncnc2)nc1.CC(C)c1cnc(-n2ccc3cccnc32)nc1.CC(C)c1cnc(-n2ncc3ccccc32)nc1.Cc1cc(C#N)cnc1C(C)C.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1.
What is the InChIKey of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The InChIKey is HDWFUHSPFAQNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4.C15H15N3O.2C14H14N4.C14H13N3S.C12H16N4.C12H15N3O.C11H12N4.C10H10F4O.C10H12N2.C9H10F3NO.2C9H11F.C9H12N2O.C9H10N2.C9H13NO2S/c1-10(2)11-8-17-14(18-9-11)12-4-6-16-15-13(12)5-7-19(15)3;1-9(2)10-7-16-15(17-8-10)11-4-3-5-13-12(11)6-14(19)18-13;1-10(2)12-8-16-14(17-9-12)18-7-5-11-4-3-6-15-13(11)18;1-10(2)12-7-15-14(16-8-12)18-13-6-4-3-5-11(13)9-17-18;1-9(2)11-6-15-14(16-7-11)10-3-4-12-13(5-10)18-8-17-12;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-8(2)9-5-14-11(15-6-9)10-3-12-7-13-4-10;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)10-8(3)4-9(5-11)6-12-10;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-4-8(6-10-9)13(3,11)12/h4-10H,1-3H3;3-5,7-9H,6H2,1-2H3,(H,18,19);2*3-10H,1-2H3;3-9H,1-2H3;5-8H,1-4H3;5-7H,1-4H3;3-8H,1-2H3;3-6H,1-2H3;4,6-7H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;4-7H,1-3H3.
What are the key properties of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine has a molecular weight of 3244.99 g/mol, XLogP of 43.22, 28 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;5-methylsulfonyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridine-3-carboxamide;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 158450050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).