1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone

C128H181N13O12S — CID 163941778

About 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone

1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone (PubChem CID 163941778) has the molecular formula C128H181N13O12S and a molecular weight of 2126.00 g/mol. Its IUPAC name is 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone
• PubChem CID: 163941778
• Molecular Formula: C128H181N13O12S
• Molecular Weight: 2126.00 g/mol
• Exact Mass: 2124.37
• IUPAC Name: 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone
• SMILES: CC1=N[C@]2(C(=O)Cn3nccn3)[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@@]32C)O1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC3C[C@]32C(=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]3CC3C[C@]32C(=O)Cn2ccc(C#N)n2)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]2S(=O)(=O)Nc2ccccc2)C1.Cc1cnn(CC(=O)[C@@]23CC2C[C@H]2[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@@]23C)c1
• InChI: InChI=1S/2C26H35N3O2.C26H38N2O2.C25H36N4O3.C25H37NO3S/c1-24(31)8-5-19-16(12-24)3-4-21-20(19)6-9-25(2)22(21)11-17-13-26(17,25)23(30)15-29-10-7-18(14-27)28-29;1-24(31)7-5-19-17(10-24)3-4-21-20(19)6-8-25(2)22(21)9-18-11-26(18,25)23(30)15-29-14-16(12-27)13-28-29;1-16-13-27-28(14-16)15-23(29)26-12-18(26)10-22-21-5-4-17-11-24(2,30)8-6-19(17)20(21)7-9-25(22,26)3;1-15-28-25(21(30)14-29-26-10-11-27-29)22(32-15)12-20-19-5-4-16-13-23(2,31)8-6-17(16)18(19)7-9-24(20,25)3;1-24(27)14-12-19-17(16-24)8-9-21-20(19)13-15-25(2)22(21)10-11-23(25)30(28,29)26-18-6-4-3-5-7-18/h7,10,16-17,19-22,31H,3-6,8-9,11-13,15H2,1-2H3;13-14,17-22,31H,3-11,15H2,1-2H3;13-14,17-22,30H,4-12,15H2,1-3H3;10-11,16-20,22,31H,4-9,12-14H2,1-3H3;3-7,17,19-23,26-27H,8-16H2,1-2H3/t16-,17?,19+,20-,21-,22+,24-,25+,26-;2*17-,18?,19+,20-,21-,22+,24-,25+,26-;16-,17+,18-,19-,20+,22-,23-,24+,25-;17-,19+,20-,21-,22+,23+,24-,25+/m11111/s1
• InChIKey: RRPNQQYNSINWBC-QGBRHNPMSA-N
• XLogP: 22.08
• TPSA: 368.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.00
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone?

The IUPAC name of 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone (CID 163941778) is 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone.

What is the SMILES notation for 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone?

The canonical SMILES for 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone is CC1=N[C@]2(C(=O)Cn3nccn3)[C@@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@@]32C)O1.C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC3C[C@]32C(=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]3CC3C[C@]32C(=O)Cn2ccc(C#N)n2)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]2S(=O)(=O)Nc2ccccc2)C1.Cc1cnn(CC(=O)[C@@]23CC2C[C@H]2[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@@]23C)c1.

What is the InChIKey of 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone?

The InChIKey is RRPNQQYNSINWBC-QGBRHNPMSA-N. The full InChI is InChI=1S/2C26H35N3O2.C26H38N2O2.C25H36N4O3.C25H37NO3S/c1-24(31)8-5-19-16(12-24)3-4-21-20(19)6-9-25(2)22(21)11-17-13-26(17,25)23(30)15-29-10-7-18(14-27)28-29;1-24(31)7-5-19-17(10-24)3-4-21-20(19)6-8-25(2)22(21)9-18-11-26(18,25)23(30)15-29-14-16(12-27)13-28-29;1-16-13-27-28(14-16)15-23(29)26-12-18(26)10-22-21-5-4-17-11-24(2,30)8-6-19(17)20(21)7-9-25(22,26)3;1-15-28-25(21(30)14-29-26-10-11-27-29)22(32-15)12-20-19-5-4-16-13-23(2,31)8-6-17(16)18(19)7-9-24(20,25)3;1-24(27)14-12-19-17(16-24)8-9-21-20(19)13-15-25(2)22(21)10-11-23(25)30(28,29)26-18-6-4-3-5-7-18/h7,10,16-17,19-22,31H,3-6,8-9,11-13,15H2,1-2H3;13-14,17-22,31H,3-11,15H2,1-2H3;13-14,17-22,30H,4-12,15H2,1-3H3;10-11,16-20,22,31H,4-9,12-14H2,1-3H3;3-7,17,19-23,26-27H,8-16H2,1-2H3/t16-,17?,19+,20-,21-,22+,24-,25+,26-;2*17-,18?,19+,20-,21-,22+,24-,25+,26-;16-,17+,18-,19-,20+,22-,23-,24+,25-;17-,19+,20-,21-,22+,23+,24-,25+/m11111/s1.

What are the key properties of 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone?

1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone has a molecular weight of 2126.00 g/mol, XLogP of 22.08, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-(4-methylpyrazol-1-yl)ethanone;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-3-carbonitrile;1-[2-[(1R,2S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.04,6.011,16]octadecanyl]-2-oxoethyl]pyrazole-4-carbonitrile;(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-N-phenyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-sulfonamide;1-[(1R,2S,4R,8S,9S,12R,13S,16R,18R)-16-hydroxy-6,9,16-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-8-yl]-2-(triazol-2-yl)ethanone is sourced from PubChem (CID 163941778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).