(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile

C167H254N16O12 — CID 157062163

IUPAC(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile
SMILESC#Cc1cnn(C[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)[C@@H](CC)C[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)[C@@H](CC)C[C@@H]5[C@H]4CC[C@@]32C)c1.CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(Cn2cc(C#N)cn2)OC)C1.CC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@](C)(O)Cn4cc(C#N)cn4)[C@@]3(C)CC[C@@H]12.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
InChIInChI=1S/C29H45N3O2.2C29H44N2O2.C28H43N3O2.2C26H39N3O2/c1-5-12-29(33)14-11-22-21(15-29)6-7-24-23(22)10-13-27(2)25(24)8-9-26(27)28(3,34-4)19-32-18-20(16-30)17-31-32;2*1-6-19-16-30-31(17-19)18-29(5,33)26-11-10-25-23-9-8-20-15-28(4,32)21(7-2)14-24(20)22(23)12-13-27(25,26)3;1-5-28-13-12-25(2,32)14-20(28)6-7-21-22-8-9-24(26(22,3)11-10-23(21)28)27(4,33)18-31-17-19(15-29)16-30-31;2*1-24(30)10-8-19-18(12-24)4-5-21-20(19)9-11-25(2)22(21)6-7-23(25)26(3,31)16-29-15-17(13-27)14-28-29/h17-18,21-26,33H,5-15,19H2,1-4H3;2*1,16-17,20-26,32-33H,7-15,18H2,2-5H3;16-17,20-24,32-33H,5-14,18H2,1-4H3;2*14-15,18-23,30-31H,4-12,16H2,1-3H3/t21-,22+,23-,24-,25+,26+,27+,28-,29-;20-,21+,22+,23-,24+,25+,26+,27+,28+,29+;20-,21+,22+,23-,24+,25+,26+,27+,28+,29-;20-,21+,22+,23+,24+,25-,26+,27-,28+;18-,19+,20-,21-,22+,23+,24-,25+,26+;18-,19+,20-,21-,22+,23+,24-,25+,26-/m111111/s1
InChIKeyABLLUAGZAIXCSB-FOPIRCNASA-N
MW2677.97 g/mol
LogP30.86
Rot. Bonds24

About (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile

(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile (PubChem CID 157062163) has the molecular formula C167H254N16O12 and a molecular weight of 2677.97 g/mol. Its IUPAC name is (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile
PubChem CID157062163
Molecular FormulaC167H254N16O12
Molecular Weight2677.97 g/mol
Exact Mass2675.98
IUPAC Name(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile
SMILESC#Cc1cnn(C[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)[C@@H](CC)C[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)[C@@H](CC)C[C@@H]5[C@H]4CC[C@@]32C)c1.CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(Cn2cc(C#N)cn2)OC)C1.CC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@](C)(O)Cn4cc(C#N)cn4)[C@@]3(C)CC[C@@H]12.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1
InChIInChI=1S/C29H45N3O2.2C29H44N2O2.C28H43N3O2.2C26H39N3O2/c1-5-12-29(33)14-11-22-21(15-29)6-7-24-23(22)10-13-27(2)25(24)8-9-26(27)28(3,34-4)19-32-18-20(16-30)17-31-32;2*1-6-19-16-30-31(17-19)18-29(5,33)26-11-10-25-23-9-8-20-15-28(4,32)21(7-2)14-24(20)22(23)12-13-27(25,26)3;1-5-28-13-12-25(2,32)14-20(28)6-7-21-22-8-9-24(26(22,3)11-10-23(21)28)27(4,33)18-31-17-19(15-29)16-30-31;2*1-24(30)10-8-19-18(12-24)4-5-21-20(19)9-11-25(2)22(21)6-7-23(25)26(3,31)16-29-15-17(13-27)14-28-29/h17-18,21-26,33H,5-15,19H2,1-4H3;2*1,16-17,20-26,32-33H,7-15,18H2,2-5H3;16-17,20-24,32-33H,5-14,18H2,1-4H3;2*14-15,18-23,30-31H,4-12,16H2,1-3H3/t21-,22+,23-,24-,25+,26+,27+,28-,29-;20-,21+,22+,23-,24+,25+,26+,27+,28+,29+;20-,21+,22+,23-,24+,25+,26+,27+,28+,29-;20-,21+,22+,23+,24+,25-,26+,27-,28+;18-,19+,20-,21-,22+,23+,24-,25+,26+;18-,19+,20-,21-,22+,23+,24-,25+,26-/m111111/s1
InChIKeyABLLUAGZAIXCSB-FOPIRCNASA-N
XLogP30.86
TPSA433.84 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002677.97
LogP ≤ 530.86
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile with MolForge

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Related Compounds

1-[(2R)-2-[(3R,5R,8S,9S,10S,13S,14S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile
CID 155350096
1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155339432
1-[(2R)-2-[(3R,5R,8S,9S,10S,13S,14S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155349988
(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
CID 167632615
1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile
CID 170229553
(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-17-[(2S)-2-methoxy-1-[4-(methylamino)pyrazol-1-yl]propan-2-yl]-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 155350152
1-[(2R)-2-hydroxy-2-[(3S,5S,8R,9R,10S,13S,14S)-13-methyl-3-propyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile
CID 155350102
1-[(2R)-2-hydroxy-2-[(3S,5S,8R,9R,10S,13S,14S,17S)-13-methyl-3-propyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile
CID 155350095
1-[2-[(1S,4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-8-propyl-2,3,4,4a,4b,5,6,6a,7,9,10,10b,11,12-tetradecahydro-1H-chrysen-1-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155437848
1-[(2S)-2-methoxy-2-[(3S,5R,8R,9R,10S,13S,14S,17S)-3-(methoxymethyl)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile
CID 170228745
1-[(2S)-2-[(1S,4aS,4bR,6aR,8R,10aS,10bS,12aS)-8-hydroxy-8,10a,12a-trimethyl-2,3,4,4a,4b,5,6,6a,7,9,10,10b,11,12-tetradecahydro-1H-chrysen-1-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155438696
1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpropyl]pyrazole-4-carbonitrile
CID 155339645

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile?
The IUPAC name of (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile (CID 157062163) is (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile.
What is the SMILES notation for (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile?
The canonical SMILES for (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile is C#Cc1cnn(C[C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)[C@@H](CC)C[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)[C@@H](CC)C[C@@H]5[C@H]4CC[C@@]32C)c1.CCC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(Cn2cc(C#N)cn2)OC)C1.CC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@](C)(O)Cn4cc(C#N)cn4)[C@@]3(C)CC[C@@H]12.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)Cn2cc(C#N)cn2)C1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)Cn2cc(C#N)cn2)C1.
What is the InChIKey of (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile?
The InChIKey is ABLLUAGZAIXCSB-FOPIRCNASA-N. The full InChI is InChI=1S/C29H45N3O2.2C29H44N2O2.C28H43N3O2.2C26H39N3O2/c1-5-12-29(33)14-11-22-21(15-29)6-7-24-23(22)10-13-27(2)25(24)8-9-26(27)28(3,34-4)19-32-18-20(16-30)17-31-32;2*1-6-19-16-30-31(17-19)18-29(5,33)26-11-10-25-23-9-8-20-15-28(4,32)21(7-2)14-24(20)22(23)12-13-27(25,26)3;1-5-28-13-12-25(2,32)14-20(28)6-7-21-22-8-9-24(26(22,3)11-10-23(21)28)27(4,33)18-31-17-19(15-29)16-30-31;2*1-24(30)10-8-19-18(12-24)4-5-21-20(19)9-11-25(2)22(21)6-7-23(25)26(3,31)16-29-15-17(13-27)14-28-29/h17-18,21-26,33H,5-15,19H2,1-4H3;2*1,16-17,20-26,32-33H,7-15,18H2,2-5H3;16-17,20-24,32-33H,5-14,18H2,1-4H3;2*14-15,18-23,30-31H,4-12,16H2,1-3H3/t21-,22+,23-,24-,25+,26+,27+,28-,29-;20-,21+,22+,23-,24+,25+,26+,27+,28+,29+;20-,21+,22+,23-,24+,25+,26+,27+,28+,29-;20-,21+,22+,23+,24+,25-,26+,27-,28+;18-,19+,20-,21-,22+,23+,24-,25+,26+;18-,19+,20-,21-,22+,23+,24-,25+,26-/m111111/s1.
What are the key properties of (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile?
(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile has a molecular weight of 2677.97 g/mol, XLogP of 30.86, 24 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 157062163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).