(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide

C215H266N28O38S3 — CID 160561072

IUPAC(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide
SMILESC/C(=C(/C#N)C(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N(C)C)ccc3c2)n1C.C/C(=C(/C#N)C(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)n1C.C/C(=C(/C#N)S(=O)(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N(C)C)ccc3c2)n1C.CCCN(CCC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)C(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCCN(CCC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)S(=O)(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCN(CC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)C(=O)NC[C@H]4OC(O)C(C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCN(CC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)S(=O)(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1
InChIInChI=1S/C33H42N4O5.C32H42N4O6S.C32H38N4O5.C31H38N4O5.C30H38N4O6S.C29H34N4O5.C28H34N4O6S/c1-6-14-37(15-7-2)25-11-10-22-16-24(9-8-23(22)17-25)28-13-12-27(36(28)5)20(3)26(18-34)32(40)35-19-29-31(39)30(38)21(4)33(41)42-29;1-6-14-36(15-7-2)25-11-10-22-16-24(9-8-23(22)17-25)27-13-12-26(35(27)5)20(3)29(18-33)43(40,41)34-19-28-31(38)30(37)21(4)32(39)42-28;1-19(25(17-33)31(39)34-18-28-30(38)29(37)20(2)32(40)41-28)26-11-12-27(35(26)3)23-8-7-22-16-24(10-9-21(22)15-23)36-13-5-4-6-14-36;1-6-35(7-2)23-11-10-20-14-22(9-8-21(20)15-23)26-13-12-25(34(26)5)18(3)24(16-32)30(38)33-17-27-29(37)28(36)19(4)31(39)40-27;1-6-34(7-2)23-11-10-20-14-22(9-8-21(20)15-23)25-13-12-24(33(25)5)18(3)27(16-31)41(38,39)32-17-26-29(36)28(35)19(4)30(37)40-26;1-16(22(14-30)28(36)31-15-25-27(35)26(34)17(2)29(37)38-25)23-10-11-24(33(23)5)20-7-6-19-13-21(32(3)4)9-8-18(19)12-20;1-16(25(14-29)39(36,37)30-15-24-27(34)26(33)17(2)28(35)38-24)22-10-11-23(32(22)5)20-7-6-19-13-21(31(3)4)9-8-18(19)12-20/h8-13,16-17,21,29-31,33,38-39,41H,6-7,14-15,19H2,1-5H3,(H,35,40);8-13,16-17,21,28,30-32,34,37-39H,6-7,14-15,19H2,1-5H3;7-12,15-16,20,28-30,32,37-38,40H,4-6,13-14,18H2,1-3H3,(H,34,39);8-15,19,27-29,31,36-37,39H,6-7,17H2,1-5H3,(H,33,38);8-15,19,26,28-30,32,35-37H,6-7,17H2,1-5H3;6-13,17,25-27,29,34-35,37H,15H2,1-5H3,(H,31,36);6-13,17,24,26-28,30,33-35H,15H2,1-5H3/b26-20+;29-20+;25-19+;24-18+;27-18+;22-16+;25-16+/t21-,29-,30-,31-,33?;21-,28-,30-,31-,32?;20-,28-,29-,30-,32?;19?,27-,28-,29-,31?;19-,26-,28-,29-,30?;17-,25-,26-,27-,29?;17-,24-,26-,27-,28?/m1111111/s1
InChIKeyQZHVCQARGSNIAJ-AHBHIBEDSA-N
MW3946.85 g/mol
LogP21.69
Rot. Bonds57

About (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide

(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide (PubChem CID 160561072) has the molecular formula C215H266N28O38S3 and a molecular weight of 3946.85 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide
PubChem CID160561072
Molecular FormulaC215H266N28O38S3
Molecular Weight3946.85 g/mol
Exact Mass3943.89
IUPAC Name(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide
SMILESC/C(=C(/C#N)C(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N(C)C)ccc3c2)n1C.C/C(=C(/C#N)C(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)n1C.C/C(=C(/C#N)S(=O)(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N(C)C)ccc3c2)n1C.CCCN(CCC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)C(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCCN(CCC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)S(=O)(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCN(CC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)C(=O)NC[C@H]4OC(O)C(C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCN(CC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)S(=O)(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1
InChIInChI=1S/C33H42N4O5.C32H42N4O6S.C32H38N4O5.C31H38N4O5.C30H38N4O6S.C29H34N4O5.C28H34N4O6S/c1-6-14-37(15-7-2)25-11-10-22-16-24(9-8-23(22)17-25)28-13-12-27(36(28)5)20(3)26(18-34)32(40)35-19-29-31(39)30(38)21(4)33(41)42-29;1-6-14-36(15-7-2)25-11-10-22-16-24(9-8-23(22)17-25)27-13-12-26(35(27)5)20(3)29(18-33)43(40,41)34-19-28-31(38)30(37)21(4)32(39)42-28;1-19(25(17-33)31(39)34-18-28-30(38)29(37)20(2)32(40)41-28)26-11-12-27(35(26)3)23-8-7-22-16-24(10-9-21(22)15-23)36-13-5-4-6-14-36;1-6-35(7-2)23-11-10-20-14-22(9-8-21(20)15-23)26-13-12-25(34(26)5)18(3)24(16-32)30(38)33-17-27-29(37)28(36)19(4)31(39)40-27;1-6-34(7-2)23-11-10-20-14-22(9-8-21(20)15-23)25-13-12-24(33(25)5)18(3)27(16-31)41(38,39)32-17-26-29(36)28(35)19(4)30(37)40-26;1-16(22(14-30)28(36)31-15-25-27(35)26(34)17(2)29(37)38-25)23-10-11-24(33(23)5)20-7-6-19-13-21(32(3)4)9-8-18(19)12-20;1-16(25(14-29)39(36,37)30-15-24-27(34)26(33)17(2)28(35)38-24)22-10-11-23(32(22)5)20-7-6-19-13-21(31(3)4)9-8-18(19)12-20/h8-13,16-17,21,29-31,33,38-39,41H,6-7,14-15,19H2,1-5H3,(H,35,40);8-13,16-17,21,28,30-32,34,37-39H,6-7,14-15,19H2,1-5H3;7-12,15-16,20,28-30,32,37-38,40H,4-6,13-14,18H2,1-3H3,(H,34,39);8-15,19,27-29,31,36-37,39H,6-7,17H2,1-5H3,(H,33,38);8-15,19,26,28-30,32,35-37H,6-7,17H2,1-5H3;6-13,17,25-27,29,34-35,37H,15H2,1-5H3,(H,31,36);6-13,17,24,26-28,30,33-35H,15H2,1-5H3/b26-20+;29-20+;25-19+;24-18+;27-18+;22-16+;25-16+/t21-,29-,30-,31-,33?;21-,28-,30-,31-,32?;20-,28-,29-,30-,32?;19?,27-,28-,29-,31?;19-,26-,28-,29-,30?;17-,25-,26-,27-,29?;17-,24-,26-,27-,28?/m1111111/s1
InChIKeyQZHVCQARGSNIAJ-AHBHIBEDSA-N
XLogP21.69
TPSA968.07 Ų
H-Bond Donors28
H-Bond Acceptors59
Rotatable Bonds57
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003946.85
LogP ≤ 521.69
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1059

Analyze (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide with MolForge

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Related Compounds

(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 122682950
(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide;(E)-1-cyano-2-[1-methyl-5-(6-morpholin-4-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-1-cyano-2-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide
CID 167578800
(E)-1-cyano-2-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 122683971
2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[(3,4,5-trihydroxyoxan-2-yl)methyl]but-2-enamide
CID 123952217
(E)-1-cyano-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)furan-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 122682943
(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide
CID 122683838
(E)-1-cyano-2-[1-methyl-5-(6-morpholin-4-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]ethenesulfonamide
CID 122682970
(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]furan-2-yl]-N-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]methyl]but-2-enamide
CID 130375191
2-cyano-3-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]-N-[(3,4,5-trihydroxyoxan-2-yl)methyl]but-2-enamide
CID 123240835
(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide
CID 122682891
(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide
CID 122682913
(E)-1-cyano-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 122684053

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide (CID 160561072) is (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide is C/C(=C(/C#N)C(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N(C)C)ccc3c2)n1C.C/C(=C(/C#N)C(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N4CCCCC4)ccc3c2)n1C.C/C(=C(/C#N)S(=O)(=O)NC[C@H]1OC(O)[C@H](C)[C@@H](O)[C@@H]1O)c1ccc(-c2ccc3cc(N(C)C)ccc3c2)n1C.CCCN(CCC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)C(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCCN(CCC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)S(=O)(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCN(CC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)C(=O)NC[C@H]4OC(O)C(C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.CCN(CC)c1ccc2cc(-c3ccc(/C(C)=C(\C#N)S(=O)(=O)NC[C@H]4OC(O)[C@H](C)[C@@H](O)[C@@H]4O)n3C)ccc2c1.
What is the InChIKey of (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide?
The InChIKey is QZHVCQARGSNIAJ-AHBHIBEDSA-N. The full InChI is InChI=1S/C33H42N4O5.C32H42N4O6S.C32H38N4O5.C31H38N4O5.C30H38N4O6S.C29H34N4O5.C28H34N4O6S/c1-6-14-37(15-7-2)25-11-10-22-16-24(9-8-23(22)17-25)28-13-12-27(36(28)5)20(3)26(18-34)32(40)35-19-29-31(39)30(38)21(4)33(41)42-29;1-6-14-36(15-7-2)25-11-10-22-16-24(9-8-23(22)17-25)27-13-12-26(35(27)5)20(3)29(18-33)43(40,41)34-19-28-31(38)30(37)21(4)32(39)42-28;1-19(25(17-33)31(39)34-18-28-30(38)29(37)20(2)32(40)41-28)26-11-12-27(35(26)3)23-8-7-22-16-24(10-9-21(22)15-23)36-13-5-4-6-14-36;1-6-35(7-2)23-11-10-20-14-22(9-8-21(20)15-23)26-13-12-25(34(26)5)18(3)24(16-32)30(38)33-17-27-29(37)28(36)19(4)31(39)40-27;1-6-34(7-2)23-11-10-20-14-22(9-8-21(20)15-23)25-13-12-24(33(25)5)18(3)27(16-31)41(38,39)32-17-26-29(36)28(35)19(4)30(37)40-26;1-16(22(14-30)28(36)31-15-25-27(35)26(34)17(2)29(37)38-25)23-10-11-24(33(23)5)20-7-6-19-13-21(32(3)4)9-8-18(19)12-20;1-16(25(14-29)39(36,37)30-15-24-27(34)26(33)17(2)28(35)38-24)22-10-11-23(32(22)5)20-7-6-19-13-21(31(3)4)9-8-18(19)12-20/h8-13,16-17,21,29-31,33,38-39,41H,6-7,14-15,19H2,1-5H3,(H,35,40);8-13,16-17,21,28,30-32,34,37-39H,6-7,14-15,19H2,1-5H3;7-12,15-16,20,28-30,32,37-38,40H,4-6,13-14,18H2,1-3H3,(H,34,39);8-15,19,27-29,31,36-37,39H,6-7,17H2,1-5H3,(H,33,38);8-15,19,26,28-30,32,35-37H,6-7,17H2,1-5H3;6-13,17,25-27,29,34-35,37H,15H2,1-5H3,(H,31,36);6-13,17,24,26-28,30,33-35H,15H2,1-5H3/b26-20+;29-20+;25-19+;24-18+;27-18+;22-16+;25-16+/t21-,29-,30-,31-,33?;21-,28-,30-,31-,32?;20-,28-,29-,30-,32?;19?,27-,28-,29-,31?;19-,26-,28-,29-,30?;17-,25-,26-,27-,29?;17-,24-,26-,27-,28?/m1111111/s1.
What are the key properties of (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide?
(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide has a molecular weight of 3946.85 g/mol, XLogP of 21.69, 57 rotatable bonds, 28 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(diethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dimethylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide;(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]-1-methylpyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-1-ene-1-sulfonamide;(E)-2-cyano-3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]but-2-enamide is sourced from PubChem (CID 160561072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).