dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine

C88H126BrK2N9O12 — CID 163908422

About dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine

dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine (PubChem CID 163908422) has the molecular formula C88H126BrK2N9O12 and a molecular weight of 1660.13 g/mol. Its IUPAC name is dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine
• PubChem CID: 163908422
• Molecular Formula: C88H126BrK2N9O12
• Molecular Weight: 1660.13 g/mol
• Exact Mass: 1657.80
• IUPAC Name: dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine
• SMILES: CO[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@](C)(O)CC[C@@]32C)[C@@H]2CC[C@H](C(=O)CBr)[C@@]12C.CO[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@](C)(O)CC[C@@]32C)[C@@H]2CC[C@H](C(=O)Cn3cc4ccncc4n3)[C@@]12C.CO[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@](C)(O)CC[C@@]32C)[C@@H]2CC[C@H](C(=O)Cn3ncc4ccncc43)[C@@]12C.O=CO[O-].[H-].[K+].[K+].c1cc2cn[nH]c2cn1
• InChI: InChI=1S/2C29H41N3O3.C23H37BrO3.C6H5N3.CH2O3.2K.H/c1-27(34)10-11-28(2)19(14-27)5-6-20-21-7-8-22(29(21,3)26(35-4)13-23(20)28)25(33)17-32-16-18-9-12-30-15-24(18)31-32;1-27(34)10-11-28(2)19(14-27)5-6-20-21-7-8-22(29(21,3)26(35-4)13-23(20)28)25(33)17-32-24-16-30-12-9-18(24)15-31-32;1-21(26)9-10-22(2)14(12-21)5-6-15-16-7-8-17(19(25)13-24)23(16,3)20(27-4)11-18(15)22;1-2-7-4-6-5(1)3-8-9-6;2-1-4-3;;;/h2*9,12,15-16,19-23,26,34H,5-8,10-11,13-14,17H2,1-4H3;14-18,20,26H,5-13H2,1-4H3;1-4H,(H,8,9);1,3H;;;/q;;;;;2*+1;-1/p-1/t2*19-,20-,21-,22+,23-,26+,27+,28-,29-;14-,15-,16-,17+,18-,20+,21+,22-,23-;;;;;/m000...../s1
• InChIKey: JODXUSPNXUKMOO-BROUMSASSA-M
• XLogP: 8.57
• TPSA: 291.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.13
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine?

The IUPAC name of dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine (CID 163908422) is dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine.

What is the SMILES notation for dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine?

The canonical SMILES for dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine is CO[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@](C)(O)CC[C@@]32C)[C@@H]2CC[C@H](C(=O)CBr)[C@@]12C.CO[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@](C)(O)CC[C@@]32C)[C@@H]2CC[C@H](C(=O)Cn3cc4ccncc4n3)[C@@]12C.CO[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@](C)(O)CC[C@@]32C)[C@@H]2CC[C@H](C(=O)Cn3ncc4ccncc43)[C@@]12C.O=CO[O-].[H-].[K+].[K+].c1cc2cn[nH]c2cn1.

What is the InChIKey of dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine?

The InChIKey is JODXUSPNXUKMOO-BROUMSASSA-M. The full InChI is InChI=1S/2C29H41N3O3.C23H37BrO3.C6H5N3.CH2O3.2K.H/c1-27(34)10-11-28(2)19(14-27)5-6-20-21-7-8-22(29(21,3)26(35-4)13-23(20)28)25(33)17-32-16-18-9-12-30-15-24(18)31-32;1-27(34)10-11-28(2)19(14-27)5-6-20-21-7-8-22(29(21,3)26(35-4)13-23(20)28)25(33)17-32-24-16-30-12-9-18(24)15-31-32;1-21(26)9-10-22(2)14(12-21)5-6-15-16-7-8-17(19(25)13-24)23(16,3)20(27-4)11-18(15)22;1-2-7-4-6-5(1)3-8-9-6;2-1-4-3;;;/h2*9,12,15-16,19-23,26,34H,5-8,10-11,13-14,17H2,1-4H3;14-18,20,26H,5-13H2,1-4H3;1-4H,(H,8,9);1,3H;;;/q;;;;;2*+1;-1/p-1/t2*19-,20-,21-,22+,23-,26+,27+,28-,29-;14-,15-,16-,17+,18-,20+,21+,22-,23-;;;;;/m000...../s1.

What are the key properties of dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine?

dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine has a molecular weight of 1660.13 g/mol, XLogP of 8.57, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-bromo-1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;hydride;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[3,4-c]pyridin-2-ylethanone;1-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-3-hydroxy-12-methoxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyrazolo[5,4-c]pyridin-1-ylethanone;oxido formate;1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 163908422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).