2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine

C149H197F8N27O10S2 — CID 159114030

IUPAC2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC(=O)N1CCN(c2cc(C)c(C(C)C)cn2)CC1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2ncsc12.CC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1.CC(C)c1cnc(N2CC(F)(F)C2)nc1.CC(C)c1cnc(N2CCOCC2)c(C#N)c1.CC(C)c1cnc(N2CCOCC2)c(C(F)(F)F)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C
InChIInChI=1S/C15H23N3O.2C14H16N2.C13H17F3N2O.2C13H19N3O.C13H17N3O.C12H17F3N2O.C12H18N2O2S.C10H13F2N3.C10H11NO2.C10H11NS/c1-11(2)14-10-16-15(9-12(14)3)18-7-5-17(6-8-18)13(4)19;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-3-5-19-6-4-18;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-7-11(8-14)13(15-9-12)16-3-5-17-6-4-16;1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-7(2)8-3-13-9(14-4-8)15-5-10(11,12)6-15;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h9-11H,5-8H2,1-4H3;2*4-10H,1-3H3;7-9H,3-6H2,1-2H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;7,9-10H,3-6H2,1-2H3;6-8,18H,4-5H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyKEVWSSWRTVYTQQ-UHFFFAOYSA-N
MW2742.51 g/mol
LogP29.05
Rot. Bonds24

About 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine

2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 159114030) has the molecular formula C149H197F8N27O10S2 and a molecular weight of 2742.51 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID159114030
Molecular FormulaC149H197F8N27O10S2
Molecular Weight2742.51 g/mol
Exact Mass2740.51
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC(=O)N1CCN(c2cc(C)c(C(C)C)cn2)CC1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2ncsc12.CC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1.CC(C)c1cnc(N2CC(F)(F)C2)nc1.CC(C)c1cnc(N2CCOCC2)c(C#N)c1.CC(C)c1cnc(N2CCOCC2)c(C(F)(F)F)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C
InChIInChI=1S/C15H23N3O.2C14H16N2.C13H17F3N2O.2C13H19N3O.C13H17N3O.C12H17F3N2O.C12H18N2O2S.C10H13F2N3.C10H11NO2.C10H11NS/c1-11(2)14-10-16-15(9-12(14)3)18-7-5-17(6-8-18)13(4)19;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-3-5-19-6-4-18;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-7-11(8-14)13(15-9-12)16-3-5-17-6-4-16;1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-7(2)8-3-13-9(14-4-8)15-5-10(11,12)6-15;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h9-11H,5-8H2,1-4H3;2*4-10H,1-3H3;7-9H,3-6H2,1-2H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;7,9-10H,3-6H2,1-2H3;6-8,18H,4-5H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3
InChIKeyKEVWSSWRTVYTQQ-UHFFFAOYSA-N
XLogP29.05
TPSA418.72 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002742.51
LogP ≤ 529.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-ylisoquinoline;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 158405972
2-(3,3-difluorocyclobutyl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-ylisoquinoline;4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 159500568
CID 159736933
CID 159736933
2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 161644802
1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)thiane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 162136675

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine (CID 159114030) is 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine is CC(=O)N1CCN(c2cc(C)c(C(C)C)cn2)CC1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2ncsc12.CC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1.CC(C)c1cnc(N2CC(F)(F)C2)nc1.CC(C)c1cnc(N2CCOCC2)c(C#N)c1.CC(C)c1cnc(N2CCOCC2)c(C(F)(F)F)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is KEVWSSWRTVYTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2C14H16N2.C13H17F3N2O.2C13H19N3O.C13H17N3O.C12H17F3N2O.C12H18N2O2S.C10H13F2N3.C10H11NO2.C10H11NS/c1-11(2)14-10-16-15(9-12(14)3)18-7-5-17(6-8-18)13(4)19;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-3-5-19-6-4-18;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-7-11(8-14)13(15-9-12)16-3-5-17-6-4-16;1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-7(2)8-3-13-9(14-4-8)15-5-10(11,12)6-15;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h9-11H,5-8H2,1-4H3;2*4-10H,1-3H3;7-9H,3-6H2,1-2H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;7,9-10H,3-6H2,1-2H3;6-8,18H,4-5H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 2742.51 g/mol, XLogP of 29.05, 24 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;1-[4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 159114030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).