2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine

C161H206F14N26O8S — CID 159395777

IUPAC2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine
SMILESCC(C)c1ccc(N2CCC2)nc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1cnc(N2CCC2)cc1F.CC(C)c1cnccc1C#N.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1ncc(C(N)=O)cc1F.Cc1cc(C(N)=O)cnc1C(C)C.Cc1cc(N2CCC2)cnc1C(C)C
InChIInChI=1S/C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C12H18N2.C11H15FN2.C11H16N2.C11H12N2.2C10H9F6N.C10H14N2O.C10H14O2S.C9H11FN2O.C9H10N2/c1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)9-7-13-11(6-10(9)12)14-4-3-5-14;1-9(2)10-4-5-11(12-8-10)13-6-3-7-13;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)6-4-17-8(10(14,15)16)3-7(6)9(11,12)13;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-6(2)9-7(3)4-8(5-12-9)10(11)13;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-5(2)8-7(10)3-6(4-12-8)9(11)13;1-7(2)9-6-11-4-3-8(9)5-10/h3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;4-6H,1-3H3,(H2,11,13);4-8H,1-3H3;3-5H,1-2H3,(H2,11,13);3-4,6-7H,1-2H3
InChIKeyLMRRNQMITCFPLR-UHFFFAOYSA-N
MW2931.63 g/mol
LogP36.10
Rot. Bonds26

About 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine

2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine (PubChem CID 159395777) has the molecular formula C161H206F14N26O8S and a molecular weight of 2931.63 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine
PubChem CID159395777
Molecular FormulaC161H206F14N26O8S
Molecular Weight2931.63 g/mol
Exact Mass2929.60
IUPAC Name2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine
SMILESCC(C)c1ccc(N2CCC2)nc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1cnc(N2CCC2)cc1F.CC(C)c1cnccc1C#N.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1ncc(C(N)=O)cc1F.Cc1cc(C(N)=O)cnc1C(C)C.Cc1cc(N2CCC2)cnc1C(C)C
InChIInChI=1S/C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C12H18N2.C11H15FN2.C11H16N2.C11H12N2.2C10H9F6N.C10H14N2O.C10H14O2S.C9H11FN2O.C9H10N2/c1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)9-7-13-11(6-10(9)12)14-4-3-5-14;1-9(2)10-4-5-11(12-8-10)13-6-3-7-13;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)6-4-17-8(10(14,15)16)3-7(6)9(11,12)13;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-6(2)9-7(3)4-8(5-12-9)10(11)13;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-5(2)8-7(10)3-6(4-12-8)9(11)13;1-7(2)9-6-11-4-3-8(9)5-10/h3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;4-6H,1-3H3,(H2,11,13);4-8H,1-3H3;3-5H,1-2H3,(H2,11,13);3-4,6-7H,1-2H3
InChIKeyLMRRNQMITCFPLR-UHFFFAOYSA-N
XLogP36.10
TPSA430.89 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.63
LogP ≤ 536.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine with MolForge

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Related Compounds

2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine
CID 157405373
2-(Azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;3-propan-2-ylpyridine-4-carbonitrile;4-(6-propan-2-ylquinazolin-2-yl)morpholine
CID 157524189
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide;methane
CID 159428896
3-(2-aminopropan-2-yl)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;3-(2-aminopropan-2-yl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-methylsulfonylbenzamide
CID 159745604
5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine
CID 160145957
2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-yl-3-(trifluoromethyl)pyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;3-fluoro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-methyl-6-propan-2-ylpyridine-3-carboxamide;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;3-propan-2-ylpyridine-4-carbonitrile;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-(6-propan-2-ylquinazolin-2-yl)morpholine
CID 160619434
2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-yl-3-(trifluoromethyl)pyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;5-methyl-6-propan-2-ylpyridine-3-carboxamide;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;3-propan-2-ylpyridine-4-carbonitrile;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-(6-propan-2-ylquinazolin-2-yl)morpholine
CID 160998213
2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-yl-3-(trifluoromethyl)pyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;5-methyl-6-propan-2-ylpyridine-3-carboxamide;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;5-methylsulfonyl-2-propan-2-ylpyridine;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine
CID 161989182

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine?
The IUPAC name of 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine (CID 159395777) is 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine?
The canonical SMILES for 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine is CC(C)c1ccc(N2CCC2)nc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)N=C(N(C)CCO)C2.CC(C)c1ccc2c(c1)N=C(N1CCOCC1)C2.CC(C)c1ccc2nc(N(C)CCO)ncc2c1.CC(C)c1ccc2nc(N3CCOCC3)ncc2c1.CC(C)c1ccc2ncncc2c1.CC(C)c1cnc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1cnc(N2CCC2)cc1F.CC(C)c1cnccc1C#N.CC(C)c1ncc(C(F)(F)F)cc1C(F)(F)F.CC(C)c1ncc(C(N)=O)cc1F.Cc1cc(C(N)=O)cnc1C(C)C.Cc1cc(N2CCC2)cnc1C(C)C.
What is the InChIKey of 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine?
The InChIKey is LMRRNQMITCFPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C15H20N2O.C14H19N3O.C14H20N2O.C12H18N2.C11H15FN2.C11H16N2.C11H12N2.2C10H9F6N.C10H14N2O.C10H14O2S.C9H11FN2O.C9H10N2/c1-11(2)12-3-4-14-13(9-12)10-16-15(17-14)18-5-7-19-8-6-18;1-11(2)12-3-4-13-10-15(16-14(13)9-12)17-5-7-18-8-6-17;1-10(2)11-4-5-13-12(8-11)9-15-14(16-13)17(3)6-7-18;1-10(2)11-4-5-12-9-14(15-13(12)8-11)16(3)6-7-17;1-9(2)12-10(3)7-11(8-13-12)14-5-4-6-14;1-8(2)9-7-13-11(6-10(9)12)14-4-3-5-14;1-9(2)10-4-5-11(12-8-10)13-6-3-7-13;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-5(2)6-4-17-8(10(14,15)16)3-7(6)9(11,12)13;1-5(2)8-7(10(14,15)16)3-6(4-17-8)9(11,12)13;1-6(2)9-7(3)4-8(5-12-9)10(11)13;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-5(2)8-7(10)3-6(4-12-8)9(11)13;1-7(2)9-6-11-4-3-8(9)5-10/h3-4,9-11H,5-8H2,1-2H3;3-4,9,11H,5-8,10H2,1-2H3;4-5,8-10,18H,6-7H2,1-3H3;4-5,8,10,17H,6-7,9H2,1-3H3;7-9H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3;4-6H,1-3H3,(H2,11,13);4-8H,1-3H3;3-5H,1-2H3,(H2,11,13);3-4,6-7H,1-2H3.
What are the key properties of 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine?
2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine has a molecular weight of 2931.63 g/mol, XLogP of 36.10, 26 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-fluoro-5-propan-2-ylpyridine;5-(azetidin-1-yl)-3-methyl-2-propan-2-ylpyridine;2-(azetidin-1-yl)-5-propan-2-ylpyridine;5-fluoro-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;5-methyl-6-propan-2-ylpyridine-3-carboxamide;2-[methyl-(6-propan-2-ylquinazolin-2-yl)amino]ethanol;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-yl-3,5-bis(trifluoromethyl)pyridine;5-propan-2-yl-2,4-bis(trifluoromethyl)pyridine;4-(6-propan-2-yl-3H-indol-2-yl)morpholine;3-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylquinazoline;4-(6-propan-2-ylquinazolin-2-yl)morpholine is sourced from PubChem (CID 159395777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).