(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

C150H166F8N42O6 — CID 157376958

IUPAC(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cnn(C)c2)cc1
InChIInChI=1S/4C25H27F2N7O.2C25H29N7O/c4*1-16-4-6-18(7-5-16)17(2)10-29-23(21-13-30-33(3)14-21)24(35)32-22-9-8-19(11-28-22)20-12-31-34(15-20)25(26)27;2*1-17-5-7-19(8-6-17)18(2)11-27-24(22-14-29-32(4)16-22)25(33)30-23-10-9-20(12-26-23)21-13-28-31(3)15-21/h4*4-9,11-15,17,23,25,29H,10H2,1-3H3,(H,28,32,35);2*5-10,12-16,18,24,27H,11H2,1-4H3,(H,26,30,33)/t2*17-,23+;2*17-,23-;2*18-,24+/m101010/s1
InChIKeyBKKYAJXXQSMMNQ-OMJXNFJXSA-N
MW2805.25 g/mol
LogP25.02
Rot. Bonds52

About (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 157376958) has the molecular formula C150H166F8N42O6 and a molecular weight of 2805.25 g/mol. Its IUPAC name is (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
PubChem CID157376958
Molecular FormulaC150H166F8N42O6
Molecular Weight2805.25 g/mol
Exact Mass2803.38
IUPAC Name(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cnn(C)c2)cc1
InChIInChI=1S/4C25H27F2N7O.2C25H29N7O/c4*1-16-4-6-18(7-5-16)17(2)10-29-23(21-13-30-33(3)14-21)24(35)32-22-9-8-19(11-28-22)20-12-31-34(15-20)25(26)27;2*1-17-5-7-19(8-6-17)18(2)11-27-24(22-14-29-32(4)16-22)25(33)30-23-10-9-20(12-26-23)21-13-28-31(3)15-21/h4*4-9,11-15,17,23,25,29H,10H2,1-3H3,(H,28,32,35);2*5-10,12-16,18,24,27H,11H2,1-4H3,(H,26,30,33)/t2*17-,23+;2*17-,23-;2*18-,24+/m101010/s1
InChIKeyBKKYAJXXQSMMNQ-OMJXNFJXSA-N
XLogP25.02
TPSA537.96 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds52
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002805.25
LogP ≤ 525.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-fluoro-6-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157090055
5-Anilino-6-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-methyl-1-(2-methylpropyl)-4-sulfanylidenepyrrolo[3,4-d]pyrimidin-2-one;5-anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 157123224
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylnaphthalen-1-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 157224718
6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-[(5-ethyl-2-pyridinyl)methyl]-5-fluoropyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-(2-phenylethyl)pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine;1-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine
CID 157265952
(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide
CID 157287413
CID 157297860
CID 157297860
3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-methyl-N-(2-phenylethyl)propanamide;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-methylpiperidin-1-yl)propan-1-one;3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[(3S)-3-phenylpiperidin-1-yl]propan-1-one;1-[3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]propanoyl]-N,N-diethylpiperidine-3-carboxamide;sulfane
CID 157371522
8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(2,5-dihydropyrrol-1-yl)isoquinoline;8-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;5-tert-butyl-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one
CID 157537924
8-Benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(piperazine-1-carbonyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrimidin-5-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 157592768
(11R,15S)-5-anilino-4-(cyclohexylmethyl)-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-3-(cyclopentylmethyl)-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one;(11R,15S)-5-anilino-4-(cyclopentylmethyl)-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-4-[[4-(5-methyl-2-pyridinyl)phenyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;(11R,15S)-5-anilino-8-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),4,9-trien-7-one
CID 157658878
N-tert-butyl-N-methyl-4-[4-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]pyrazol-1-yl]piperidine-1-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1-pyridin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157809409

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 157376958) is (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C(F)F)c3)cn2)c2cnn(C)c2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cnn(C)c2)cc1.
What is the InChIKey of (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is BKKYAJXXQSMMNQ-OMJXNFJXSA-N. The full InChI is InChI=1S/4C25H27F2N7O.2C25H29N7O/c4*1-16-4-6-18(7-5-16)17(2)10-29-23(21-13-30-33(3)14-21)24(35)32-22-9-8-19(11-28-22)20-12-31-34(15-20)25(26)27;2*1-17-5-7-19(8-6-17)18(2)11-27-24(22-14-29-32(4)16-22)25(33)30-23-10-9-20(12-26-23)21-13-28-31(3)15-21/h4*4-9,11-15,17,23,25,29H,10H2,1-3H3,(H,28,32,35);2*5-10,12-16,18,24,27H,11H2,1-4H3,(H,26,30,33)/t2*17-,23+;2*17-,23-;2*18-,24+/m101010/s1.
What are the key properties of (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?
(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 2805.25 g/mol, XLogP of 25.02, 52 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2R)-N-[5-[1-(difluoromethyl)pyrazol-4-yl]-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)acetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 157376958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).