(5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol

C191H241BrCl5N19O40 — CID 159871496

IUPAC(5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol
SMILESC=CCBr.C=CCOc1cncc(-n2cc3c(n2)C=C2C[C@@H](Cl)[C@@H]4[C@H]([C@@H](O)C[C@@]5(C)[C@H]4C[C@@H](C)[C@]5(OC(=O)CC)C(=O)COC(=O)CC)[C@@]2(C)C3)c1.CC(=O)Nc1cncc(OC(C)=O)c1.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)CC(C=O)C(=O)C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cn(-c4cncc(O)c4)nc2C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cnn(-c4cncc(C)c4)c2C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cnn(-c4cncc(O)c4)c2C=C1C[C@H]3Cl.NNc1cncc(O)c1.Nc1cncc(O)c1
InChIInChI=1S/C37H46ClN3O7.C35H44ClN3O6.2C34H42ClN3O7.C29H39ClO8.C9H10N2O3.C5H7N3O.C5H6N2O.C3H5Br/c1-7-10-46-25-14-24(17-39-18-25)41-19-22-15-35(5)23(13-28(22)40-41)12-27(38)33-26-11-21(4)37(48-32(45)9-3,30(43)20-47-31(44)8-2)36(26,6)16-29(42)34(33)35;1-7-29(42)44-18-28(41)35(45-30(43)8-2)20(4)10-24-31-25(36)11-22-12-26-21(16-38-39(26)23-9-19(3)15-37-17-23)13-33(22,5)32(31)27(40)14-34(24,35)6;1-6-28(42)44-17-27(41)34(45-29(43)7-2)18(3)8-23-30-24(35)9-20-10-25-19(16-38(37-25)21-11-22(39)15-36-14-21)12-32(20,4)31(30)26(40)13-33(23,34)5;1-6-28(42)44-17-27(41)34(45-29(43)7-2)18(3)8-23-30-24(35)9-20-10-25-19(14-37-38(25)21-11-22(39)16-36-15-21)12-32(20,4)31(30)26(40)13-33(23,34)5;1-6-23(35)37-14-22(34)29(38-24(36)7-2)15(3)8-18-25-19(30)9-17-10-20(32)16(13-31)11-27(17,4)26(25)21(33)12-28(18,29)5;1-6(12)11-8-3-9(5-10-4-8)14-7(2)13;6-8-4-1-5(9)3-7-2-4;6-4-1-5(8)3-7-2-4;1-2-3-4/h7,13-14,17-19,21,26-27,29,33-34,42H,1,8-12,15-16,20H2,2-6H3;9,12,15-17,20,24-25,27,31-32,40H,7-8,10-11,13-14,18H2,1-6H3;2*10-11,14-16,18,23-24,26,30-31,39-40H,6-9,12-13,17H2,1-5H3;10,13,15-16,18-19,21,25-26,33H,6-9,11-12,14H2,1-5H3;3-5H,1-2H3,(H,11,12);1-3,8-9H,6H2;1-3,8H,6H2;2H,1,3H2/t21-,26+,27-,29+,33-,34+,35+,36+,37+;20-,24+,25-,27+,31-,32+,33+,34+,35+;2*18-,23+,24-,26+,30-,31+,32+,33+,34+;15-,16?,18+,19-,21+,25-,26+,27+,28+,29+;;;;/m11111..../s1
InChIKeyNSKGYAREJXJNRK-ZBISLIRKSA-N
MW3700.29 g/mol
LogP27.24
Rot. Bonds42

About (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol

(5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol (PubChem CID 159871496) has the molecular formula C191H241BrCl5N19O40 and a molecular weight of 3700.29 g/mol. Its IUPAC name is (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol.

Molecular Properties

Compound Name(5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol
PubChem CID159871496
Molecular FormulaC191H241BrCl5N19O40
Molecular Weight3700.29 g/mol
Exact Mass3694.50
IUPAC Name(5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol
SMILESC=CCBr.C=CCOc1cncc(-n2cc3c(n2)C=C2C[C@@H](Cl)[C@@H]4[C@H]([C@@H](O)C[C@@]5(C)[C@H]4C[C@@H](C)[C@]5(OC(=O)CC)C(=O)COC(=O)CC)[C@@]2(C)C3)c1.CC(=O)Nc1cncc(OC(C)=O)c1.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)CC(C=O)C(=O)C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cn(-c4cncc(O)c4)nc2C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cnn(-c4cncc(C)c4)c2C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cnn(-c4cncc(O)c4)c2C=C1C[C@H]3Cl.NNc1cncc(O)c1.Nc1cncc(O)c1
InChIInChI=1S/C37H46ClN3O7.C35H44ClN3O6.2C34H42ClN3O7.C29H39ClO8.C9H10N2O3.C5H7N3O.C5H6N2O.C3H5Br/c1-7-10-46-25-14-24(17-39-18-25)41-19-22-15-35(5)23(13-28(22)40-41)12-27(38)33-26-11-21(4)37(48-32(45)9-3,30(43)20-47-31(44)8-2)36(26,6)16-29(42)34(33)35;1-7-29(42)44-18-28(41)35(45-30(43)8-2)20(4)10-24-31-25(36)11-22-12-26-21(16-38-39(26)23-9-19(3)15-37-17-23)13-33(22,5)32(31)27(40)14-34(24,35)6;1-6-28(42)44-17-27(41)34(45-29(43)7-2)18(3)8-23-30-24(35)9-20-10-25-19(16-38(37-25)21-11-22(39)15-36-14-21)12-32(20,4)31(30)26(40)13-33(23,34)5;1-6-28(42)44-17-27(41)34(45-29(43)7-2)18(3)8-23-30-24(35)9-20-10-25-19(14-37-38(25)21-11-22(39)16-36-15-21)12-32(20,4)31(30)26(40)13-33(23,34)5;1-6-23(35)37-14-22(34)29(38-24(36)7-2)15(3)8-18-25-19(30)9-17-10-20(32)16(13-31)11-27(17,4)26(25)21(33)12-28(18,29)5;1-6(12)11-8-3-9(5-10-4-8)14-7(2)13;6-8-4-1-5(9)3-7-2-4;6-4-1-5(8)3-7-2-4;1-2-3-4/h7,13-14,17-19,21,26-27,29,33-34,42H,1,8-12,15-16,20H2,2-6H3;9,12,15-17,20,24-25,27,31-32,40H,7-8,10-11,13-14,18H2,1-6H3;2*10-11,14-16,18,23-24,26,30-31,39-40H,6-9,12-13,17H2,1-5H3;10,13,15-16,18-19,21,25-26,33H,6-9,11-12,14H2,1-5H3;3-5H,1-2H3,(H,11,12);1-3,8-9H,6H2;1-3,8H,6H2;2H,1,3H2/t21-,26+,27-,29+,33-,34+,35+,36+,37+;20-,24+,25-,27+,31-,32+,33+,34+,35+;2*18-,23+,24-,26+,30-,31+,32+,33+,34+;15-,16?,18+,19-,21+,25-,26+,27+,28+,29+;;;;/m11111..../s1
InChIKeyNSKGYAREJXJNRK-ZBISLIRKSA-N
XLogP27.24
TPSA854.77 Ų
H-Bond Donors13
H-Bond Acceptors58
Rotatable Bonds42
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003700.29
LogP ≤ 527.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1058

Analyze (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol?
The IUPAC name of (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol (CID 159871496) is (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol.
What is the SMILES notation for (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol?
The canonical SMILES for (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol is C=CCBr.C=CCOc1cncc(-n2cc3c(n2)C=C2C[C@@H](Cl)[C@@H]4[C@H]([C@@H](O)C[C@@]5(C)[C@H]4C[C@@H](C)[C@]5(OC(=O)CC)C(=O)COC(=O)CC)[C@@]2(C)C3)c1.CC(=O)Nc1cncc(OC(C)=O)c1.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)CC(C=O)C(=O)C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cn(-c4cncc(O)c4)nc2C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cnn(-c4cncc(C)c4)c2C=C1C[C@H]3Cl.CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)Cc2cnn(-c4cncc(O)c4)c2C=C1C[C@H]3Cl.NNc1cncc(O)c1.Nc1cncc(O)c1.
What is the InChIKey of (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol?
The InChIKey is NSKGYAREJXJNRK-ZBISLIRKSA-N. The full InChI is InChI=1S/C37H46ClN3O7.C35H44ClN3O6.2C34H42ClN3O7.C29H39ClO8.C9H10N2O3.C5H7N3O.C5H6N2O.C3H5Br/c1-7-10-46-25-14-24(17-39-18-25)41-19-22-15-35(5)23(13-28(22)40-41)12-27(38)33-26-11-21(4)37(48-32(45)9-3,30(43)20-47-31(44)8-2)36(26,6)16-29(42)34(33)35;1-7-29(42)44-18-28(41)35(45-30(43)8-2)20(4)10-24-31-25(36)11-22-12-26-21(16-38-39(26)23-9-19(3)15-37-17-23)13-33(22,5)32(31)27(40)14-34(24,35)6;1-6-28(42)44-17-27(41)34(45-29(43)7-2)18(3)8-23-30-24(35)9-20-10-25-19(16-38(37-25)21-11-22(39)15-36-14-21)12-32(20,4)31(30)26(40)13-33(23,34)5;1-6-28(42)44-17-27(41)34(45-29(43)7-2)18(3)8-23-30-24(35)9-20-10-25-19(14-37-38(25)21-11-22(39)16-36-15-21)12-32(20,4)31(30)26(40)13-33(23,34)5;1-6-23(35)37-14-22(34)29(38-24(36)7-2)15(3)8-18-25-19(30)9-17-10-20(32)16(13-31)11-27(17,4)26(25)21(33)12-28(18,29)5;1-6(12)11-8-3-9(5-10-4-8)14-7(2)13;6-8-4-1-5(9)3-7-2-4;6-4-1-5(8)3-7-2-4;1-2-3-4/h7,13-14,17-19,21,26-27,29,33-34,42H,1,8-12,15-16,20H2,2-6H3;9,12,15-17,20,24-25,27,31-32,40H,7-8,10-11,13-14,18H2,1-6H3;2*10-11,14-16,18,23-24,26,30-31,39-40H,6-9,12-13,17H2,1-5H3;10,13,15-16,18-19,21,25-26,33H,6-9,11-12,14H2,1-5H3;3-5H,1-2H3,(H,11,12);1-3,8-9H,6H2;1-3,8H,6H2;2H,1,3H2/t21-,26+,27-,29+,33-,34+,35+,36+,37+;20-,24+,25-,27+,31-,32+,33+,34+,35+;2*18-,23+,24-,26+,30-,31+,32+,33+,34+;15-,16?,18+,19-,21+,25-,26+,27+,28+,29+;;;;/m11111..../s1.
What are the key properties of (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol?
(5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol has a molecular weight of 3700.29 g/mol, XLogP of 27.24, 42 rotatable bonds, 13 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-3-pyridinyl) acetate;5-aminopyridin-3-ol;3-bromoprop-1-ene;[2-[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-2-formyl-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-6-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-7-(5-hydroxy-3-pyridinyl)-2,16,18-trimethyl-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-7-(5-methyl-3-pyridinyl)-17-propanoyloxy-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-yl]-2-oxoethyl] propanoate;[2-[(1S,2R,12R,13S,14S,16R,17R,18S,20S)-12-chloro-20-hydroxy-2,16,18-trimethyl-17-propanoyloxy-6-(5-prop-2-enoxy-3-pyridinyl)-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7,9-trien-17-yl]-2-oxoethyl] propanoate;5-hydrazinylpyridin-3-ol is sourced from PubChem (CID 159871496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).