2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C152H157F11N26O10S2 — CID 158580228

IUPAC2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(F)(F)c1ccc(C2CCCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CS(=O)(=O)N1CCOC(CNc2ncnc(N3CCOCC3c3ccc(C(F)(F)F)cc3)c2F)C1.Cc1ccc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)o1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3ccc4ccccc4c3)c2F)cc1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3cccc4ccccc34)c2F)cc1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3nc4ccccc4s3)c2F)cc1
InChIInChI=1S/2C28H27FN4O.C27H29F3N4O.C25H24FN5OS.C23H25FN4O2.C21H25F4N5O4S/c29-27-24(15-14-19-10-12-20(13-11-19)17-26(30)34)31-18-32-28(27)33-16-4-9-25(33)23-8-3-6-21-5-1-2-7-22(21)23;29-27-24(14-11-19-7-9-20(10-8-19)16-26(30)34)31-18-32-28(27)33-15-3-6-25(33)23-13-12-21-4-1-2-5-22(21)17-23;1-27(29,30)21-12-10-20(11-13-21)23-4-2-3-15-34(23)26-25(28)22(32-17-33-26)14-9-18-5-7-19(8-6-18)16-24(31)35;26-23-19(12-11-16-7-9-17(10-8-16)14-22(27)32)28-15-29-24(23)31-13-3-5-20(31)25-30-18-4-1-2-6-21(18)33-25;1-15-4-11-20(30-15)19-3-2-12-28(19)23-22(24)18(26-14-27-23)10-9-16-5-7-17(8-6-16)13-21(25)29;1-35(31,32)29-6-9-34-16(11-29)10-26-19-18(22)20(28-13-27-19)30-7-8-33-12-17(30)14-2-4-15(5-3-14)21(23,24)25/h1-3,5-8,10-13,18,25H,4,9,14-17H2,(H2,30,34);1-2,4-5,7-10,12-13,17-18,25H,3,6,11,14-16H2,(H2,30,34);5-8,10-13,17,23H,2-4,9,14-16H2,1H3,(H2,31,35);1-2,4,6-10,15,20H,3,5,11-14H2,(H2,27,32);4-8,11,14,19H,2-3,9-10,12-13H2,1H3,(H2,25,29);2-5,13,16-17H,6-12H2,1H3,(H,26,27,28)
InChIKeyHTDXDUABCPKWLN-UHFFFAOYSA-N
MW2781.21 g/mol
LogP25.46
Rot. Bonds42

About 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 158580228) has the molecular formula C152H157F11N26O10S2 and a molecular weight of 2781.21 g/mol. Its IUPAC name is 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID158580228
Molecular FormulaC152H157F11N26O10S2
Molecular Weight2781.21 g/mol
Exact Mass2779.18
IUPAC Name2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(F)(F)c1ccc(C2CCCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CS(=O)(=O)N1CCOC(CNc2ncnc(N3CCOCC3c3ccc(C(F)(F)F)cc3)c2F)C1.Cc1ccc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)o1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3ccc4ccccc4c3)c2F)cc1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3cccc4ccccc34)c2F)cc1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3nc4ccccc4s3)c2F)cc1
InChIInChI=1S/2C28H27FN4O.C27H29F3N4O.C25H24FN5OS.C23H25FN4O2.C21H25F4N5O4S/c29-27-24(15-14-19-10-12-20(13-11-19)17-26(30)34)31-18-32-28(27)33-16-4-9-25(33)23-8-3-6-21-5-1-2-7-22(21)23;29-27-24(14-11-19-7-9-20(10-8-19)16-26(30)34)31-18-32-28(27)33-15-3-6-25(33)23-13-12-21-4-1-2-5-22(21)17-23;1-27(29,30)21-12-10-20(11-13-21)23-4-2-3-15-34(23)26-25(28)22(32-17-33-26)14-9-18-5-7-19(8-6-18)16-24(31)35;26-23-19(12-11-16-7-9-17(10-8-16)14-22(27)32)28-15-29-24(23)31-13-3-5-20(31)25-30-18-4-1-2-6-21(18)33-25;1-15-4-11-20(30-15)19-3-2-12-28(19)23-22(24)18(26-14-27-23)10-9-16-5-7-17(8-6-16)13-21(25)29;1-35(31,32)29-6-9-34-16(11-29)10-26-19-18(22)20(28-13-27-19)30-7-8-33-12-17(30)14-2-4-15(5-3-14)21(23,24)25/h1-3,5-8,10-13,18,25H,4,9,14-17H2,(H2,30,34);1-2,4-5,7-10,12-13,17-18,25H,3,6,11,14-16H2,(H2,30,34);5-8,10-13,17,23H,2-4,9,14-16H2,1H3,(H2,31,35);1-2,4,6-10,15,20H,3,5,11-14H2,(H2,27,32);4-8,11,14,19H,2-3,9-10,12-13H2,1H3,(H2,25,29);2-5,13,16-17H,6-12H2,1H3,(H,26,27,28)
InChIKeyHTDXDUABCPKWLN-UHFFFAOYSA-N
XLogP25.46
TPSA483.47 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds42
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002781.21
LogP ≤ 525.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Related Compounds

6-[4-Methyl-2-(1-methylpiperidin-3-yl)pyrimidin-5-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-2-yl)pyrimidin-4-yl]-2-[4-(oxan-2-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157670050
CID 157886959
CID 157886959
6-[4-(1-Acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-methyl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[6-(furan-3-yl)-4-methyl-3-pyridinyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159113559
CID 159427265
CID 159427265
(5Z)-5-[[2-[[4-[(4-fluorophenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[3-(4-fluorophenyl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[2-(furan-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(3-pyridin-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[[3-[2-(trifluoromethyl)phenyl]phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 160185929
(5Z)-5-[[2-[4-[3-(1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[3-fluoro-6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-5-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-6-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-oxo-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160702119
N-methyl-N-[2-[6-(1-methyl-4-thiophen-2-ylimidazol-2-yl)-2-(4-morpholin-2-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-6-[5-methyl-1-(3H-pyrrol-5-yl)imidazol-4-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-3-yloxyanilino)-6-[2-(2H-pyrrol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 160958611
6-[2-fluoro-4-(1-methylpyrrolidin-3-yl)phenyl]-8-(2-morpholin-4-ylethyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(5-methyl-2-piperidin-3-yl-1,3-thiazol-4-yl)-7-oxo-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(4-methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 161209714
(5Z)-5-[[2-[4-[[[2-(1-benzofuran-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161777635
2-[[6-[2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-3-(2,5-difluoro-4-methylphenyl)propanamide;2-[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;2-[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-4,4-dimethylpentanamide;3-[[2-[4-[2-(4-phenylphenyl)pyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-7-yl]butanoylamino]methyl]furan-2-carboxamide
CID 161857853
(5Z)-5-[[2-[4-[[[3-fluoro-6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-5-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-6-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-oxo-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161873743
3-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-(trifluoromethyl)-4-pyridinyl]-1-[(2S,4R)-4-fluoro-1-[(5-fluoro-1-benzofuran-2-yl)sulfonyl]-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[2,3-difluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-fluoro-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;methane
CID 161988227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 158580228) is 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide is CC(F)(F)c1ccc(C2CCCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)cc1.CS(=O)(=O)N1CCOC(CNc2ncnc(N3CCOCC3c3ccc(C(F)(F)F)cc3)c2F)C1.Cc1ccc(C2CCCN2c2ncnc(CCc3ccc(CC(N)=O)cc3)c2F)o1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3ccc4ccccc4c3)c2F)cc1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3cccc4ccccc34)c2F)cc1.NC(=O)Cc1ccc(CCc2ncnc(N3CCCC3c3nc4ccccc4s3)c2F)cc1.
What is the InChIKey of 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is HTDXDUABCPKWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27FN4O.C27H29F3N4O.C25H24FN5OS.C23H25FN4O2.C21H25F4N5O4S/c29-27-24(15-14-19-10-12-20(13-11-19)17-26(30)34)31-18-32-28(27)33-16-4-9-25(33)23-8-3-6-21-5-1-2-7-22(21)23;29-27-24(14-11-19-7-9-20(10-8-19)16-26(30)34)31-18-32-28(27)33-15-3-6-25(33)23-13-12-21-4-1-2-5-22(21)17-23;1-27(29,30)21-12-10-20(11-13-21)23-4-2-3-15-34(23)26-25(28)22(32-17-33-26)14-9-18-5-7-19(8-6-18)16-24(31)35;26-23-19(12-11-16-7-9-17(10-8-16)14-22(27)32)28-15-29-24(23)31-13-3-5-20(31)25-30-18-4-1-2-6-21(18)33-25;1-15-4-11-20(30-15)19-3-2-12-28(19)23-22(24)18(26-14-27-23)10-9-16-5-7-17(8-6-16)13-21(25)29;1-35(31,32)29-6-9-34-16(11-29)10-26-19-18(22)20(28-13-27-19)30-7-8-33-12-17(30)14-2-4-15(5-3-14)21(23,24)25/h1-3,5-8,10-13,18,25H,4,9,14-17H2,(H2,30,34);1-2,4-5,7-10,12-13,17-18,25H,3,6,11,14-16H2,(H2,30,34);5-8,10-13,17,23H,2-4,9,14-16H2,1H3,(H2,31,35);1-2,4,6-10,15,20H,3,5,11-14H2,(H2,27,32);4-8,11,14,19H,2-3,9-10,12-13H2,1H3,(H2,25,29);2-5,13,16-17H,6-12H2,1H3,(H,26,27,28).
What are the key properties of 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 2781.21 g/mol, XLogP of 25.46, 42 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 158580228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).