N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one

C137H210F6N20O12 — CID 160748902

IUPACN-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one
SMILESC=C(CCc1ccnn1CC)C(C)C.C=C(CCc1nccn1C)C(C)C.CC#CC(=O)C(C)C.CC(C)C(=O)C#CC(C)(C)C.CC(C)C(=O)CCc1cccnc1.CC(C)C(=O)CCc1ccncc1.CC(C)C(=O)CCc1ccncn1.CC(C)C(=O)CCc1cnccn1.CC(C)C(=O)CCc1ncccn1.CC(C)C(=O)CCn1cccn1.CC(C)C(=O)CCn1cncn1.CC(C)C(=O)NC(C)(C)C(C)(F)F.CC(C)C(=O)NC1(C(F)(F)F)CC1.CC(C)C(=O)NCc1ccc(F)cc1.[H][H].[H][H]
InChIInChI=1S/C12H20N2.C11H14FNO.C11H18N2.2C11H15NO.3C10H14N2O.C10H16O.C9H17F2NO.C9H14N2O.C8H12F3NO.C8H13N3O.C7H10O.2H2/c1-5-14-12(8-9-13-14)7-6-11(4)10(2)3;1-8(2)11(14)13-7-9-3-5-10(12)6-4-9;1-9(2)10(3)5-6-11-12-7-8-13(11)4;1-9(2)11(13)4-3-10-5-7-12-8-6-10;1-9(2)11(13)6-5-10-4-3-7-12-8-10;1-8(2)9(13)4-5-10-11-6-3-7-12-10;1-8(2)10(13)4-3-9-7-11-5-6-12-9;1-8(2)10(13)4-3-9-5-6-11-7-12-9;1-8(2)9(11)6-7-10(3,4)5;1-6(2)7(13)12-8(3,4)9(5,10)11;1-8(2)9(12)4-7-11-6-3-5-10-11;1-5(2)6(13)12-7(3-4-7)8(9,10)11;1-7(2)8(12)3-4-11-6-9-5-10-11;1-4-5-7(8)6(2)3;;/h8-10H,4-7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);7-9H,3,5-6H2,1-2,4H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3,6-8H,4-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;8H,1-5H3;6H,1-5H3,(H,12,13);3,5-6,8H,4,7H2,1-2H3;5H,3-4H2,1-2H3,(H,12,13);5-7H,3-4H2,1-2H3;6H,1-3H3;2*1H
InChIKeyRWNYSCQWPFCTAT-UHFFFAOYSA-N
MW2443.30 g/mol
LogP27.52
Rot. Bonds47

About N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one

N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one (PubChem CID 160748902) has the molecular formula C137H210F6N20O12 and a molecular weight of 2443.30 g/mol. Its IUPAC name is N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one.

Molecular Properties

Compound NameN-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one
PubChem CID160748902
Molecular FormulaC137H210F6N20O12
Molecular Weight2443.30 g/mol
Exact Mass2441.63
IUPAC NameN-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one
SMILESC=C(CCc1ccnn1CC)C(C)C.C=C(CCc1nccn1C)C(C)C.CC#CC(=O)C(C)C.CC(C)C(=O)C#CC(C)(C)C.CC(C)C(=O)CCc1cccnc1.CC(C)C(=O)CCc1ccncc1.CC(C)C(=O)CCc1ccncn1.CC(C)C(=O)CCc1cnccn1.CC(C)C(=O)CCc1ncccn1.CC(C)C(=O)CCn1cccn1.CC(C)C(=O)CCn1cncn1.CC(C)C(=O)NC(C)(C)C(C)(F)F.CC(C)C(=O)NC1(C(F)(F)F)CC1.CC(C)C(=O)NCc1ccc(F)cc1.[H][H].[H][H]
InChIInChI=1S/C12H20N2.C11H14FNO.C11H18N2.2C11H15NO.3C10H14N2O.C10H16O.C9H17F2NO.C9H14N2O.C8H12F3NO.C8H13N3O.C7H10O.2H2/c1-5-14-12(8-9-13-14)7-6-11(4)10(2)3;1-8(2)11(14)13-7-9-3-5-10(12)6-4-9;1-9(2)10(3)5-6-11-12-7-8-13(11)4;1-9(2)11(13)4-3-10-5-7-12-8-6-10;1-9(2)11(13)6-5-10-4-3-7-12-8-10;1-8(2)9(13)4-5-10-11-6-3-7-12-10;1-8(2)10(13)4-3-9-7-11-5-6-12-9;1-8(2)10(13)4-3-9-5-6-11-7-12-9;1-8(2)9(11)6-7-10(3,4)5;1-6(2)7(13)12-8(3,4)9(5,10)11;1-8(2)9(12)4-7-11-6-3-5-10-11;1-5(2)6(13)12-7(3-4-7)8(9,10)11;1-7(2)8(12)3-4-11-6-9-5-10-11;1-4-5-7(8)6(2)3;;/h8-10H,4-7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);7-9H,3,5-6H2,1-2,4H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3,6-8H,4-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;8H,1-5H3;6H,1-5H3,(H,12,13);3,5-6,8H,4,7H2,1-2H3;5H,3-4H2,1-2H3,(H,12,13);5-7H,3-4H2,1-2H3;6H,1-3H3;2*1H
InChIKeyRWNYSCQWPFCTAT-UHFFFAOYSA-N
XLogP27.52
TPSA428.22 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.30
LogP ≤ 527.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one with MolForge

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Related Compounds

(7S,8aS)-7-[3-[2-[8-[(Z)-3-[(7S,8aS)-2-(5-fluoropyrimidin-2-yl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]prop-1-enyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propyl]-2-(5-fluoro-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 156415551
N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;3-methylbut-1-en-2-ylcyclobutane;N-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine;2-methylhex-4-yn-3-one;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-2-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one
CID 157377393
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-cyclohexylheptanoyl]-N-methyl-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-2-N-(1-methylimidazol-4-yl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-N-methyl-N-(1-methylimidazol-4-yl)-3-[[2-methyl-6-(methylamino)-4-pyridinyl]methyl]-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
CID 157561102
N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-(2-methyltriazol-4-yl)pentan-3-one;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one
CID 157705991
N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;2,6,6-trimethylhept-4-yn-3-one
CID 157757657
2-[4-[(4-acetylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone;bis(5-heptyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione);N-[3-[4-[[4-[2-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]acetamide
CID 158897321
(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)butanamide;(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]butanamide;(2S,3S)-3-amino-N,N-dimethyl-4-oxo-4-pyrrolidin-1-yl-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-N-methyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide
CID 159279661
(1S,5R)-N-[2-(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1,7-dimethylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159326151
5-[(2R,3S)-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide;5-[(1-cyclopropylpyrazol-4-yl)amino]-3-[(2R,3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-4,4-difluoro-2-methylpiperidin-1-yl]-1,2,4-triazine-6-carboxamide;3-[(1-cyclopropylpyrazol-4-yl)amino]-5-[(5R)-5-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3,3-difluoropiperidin-1-yl]pyrazine-2-carboxamide;5-[(5R)-5-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3,3-difluoropiperidin-1-yl]-3-[(1-methylpyrrol-3-yl)amino]pyrazine-2-carboxamide
CID 159408547
(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 159570678
2-[2,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[2-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[5-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-3-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-1-yl]acetamide
CID 159651534
Tert-butyl 4-[4-[3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]piperidine-1-carboxylate;5,5,5-trifluoro-1-[3-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;hydrochloride
CID 159698709

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one?
The IUPAC name of N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one (CID 160748902) is N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one.
What is the SMILES notation for N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one?
The canonical SMILES for N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one is C=C(CCc1ccnn1CC)C(C)C.C=C(CCc1nccn1C)C(C)C.CC#CC(=O)C(C)C.CC(C)C(=O)C#CC(C)(C)C.CC(C)C(=O)CCc1cccnc1.CC(C)C(=O)CCc1ccncc1.CC(C)C(=O)CCc1ccncn1.CC(C)C(=O)CCc1cnccn1.CC(C)C(=O)CCc1ncccn1.CC(C)C(=O)CCn1cccn1.CC(C)C(=O)CCn1cncn1.CC(C)C(=O)NC(C)(C)C(C)(F)F.CC(C)C(=O)NC1(C(F)(F)F)CC1.CC(C)C(=O)NCc1ccc(F)cc1.[H][H].[H][H].
What is the InChIKey of N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one?
The InChIKey is RWNYSCQWPFCTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C11H14FNO.C11H18N2.2C11H15NO.3C10H14N2O.C10H16O.C9H17F2NO.C9H14N2O.C8H12F3NO.C8H13N3O.C7H10O.2H2/c1-5-14-12(8-9-13-14)7-6-11(4)10(2)3;1-8(2)11(14)13-7-9-3-5-10(12)6-4-9;1-9(2)10(3)5-6-11-12-7-8-13(11)4;1-9(2)11(13)4-3-10-5-7-12-8-6-10;1-9(2)11(13)6-5-10-4-3-7-12-8-10;1-8(2)9(13)4-5-10-11-6-3-7-12-10;1-8(2)10(13)4-3-9-7-11-5-6-12-9;1-8(2)10(13)4-3-9-5-6-11-7-12-9;1-8(2)9(11)6-7-10(3,4)5;1-6(2)7(13)12-8(3,4)9(5,10)11;1-8(2)9(12)4-7-11-6-3-5-10-11;1-5(2)6(13)12-7(3-4-7)8(9,10)11;1-7(2)8(12)3-4-11-6-9-5-10-11;1-4-5-7(8)6(2)3;;/h8-10H,4-7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);7-9H,3,5-6H2,1-2,4H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3,6-8H,4-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;8H,1-5H3;6H,1-5H3,(H,12,13);3,5-6,8H,4,7H2,1-2H3;5H,3-4H2,1-2H3,(H,12,13);5-7H,3-4H2,1-2H3;6H,1-3H3;2*1H.
What are the key properties of N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one?
N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one has a molecular weight of 2443.30 g/mol, XLogP of 27.52, 47 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one is sourced from PubChem (CID 160748902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).