magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride

C70H85ClMgN14O5 — CID 158584434

About magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride

magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride (PubChem CID 158584434) has the molecular formula C70H85ClMgN14O5 and a molecular weight of 1262.30 g/mol. Its IUPAC name is magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride.

Molecular Properties

• Compound Name: magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride
• PubChem CID: 158584434
• Molecular Formula: C70H85ClMgN14O5
• Molecular Weight: 1262.30 g/mol
• Exact Mass: 1260.64
• IUPAC Name: magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride
• SMILES: C1CCOC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@@H]6CC(O)(c7ccccc7)C[C@@H]6C5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@H]6CC(=O)C[C@H]6C5)cccn4n3)cc2)CC1.[Cl-].[Mg+2].[c-]1ccccc1
• InChI: InChI=1S/C33H39N7O2.C27H33N7O2.C6H5.C4H8O.ClH.Mg/c1-37-17-14-28(15-18-37)38(2)31(41)23-10-12-27(13-11-23)34-32-35-30-29(9-6-16-40(30)36-32)39-21-24-19-33(42,20-25(24)22-39)26-7-4-3-5-8-26;1-31-12-9-22(10-13-31)32(2)26(36)18-5-7-21(8-6-18)28-27-29-25-24(4-3-11-34(25)30-27)33-16-19-14-23(35)15-20(19)17-33;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h3-13,16,24-25,28,42H,14-15,17-22H2,1-2H3,(H,34,36);3-8,11,19-20,22H,9-10,12-17H2,1-2H3,(H,28,30);1-5H;1-4H2;1H;/q;;-1;;;+2/p-1/t24-,25+,33?;19-,20+
• InChIKey: DTFBKTFILTWDMU-WRGHJYKBSA-M
• XLogP: 6.33
• TPSA: 184.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1262.30
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride?

The IUPAC name of magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride (CID 158584434) is magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride.

What is the SMILES notation for magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride?

The canonical SMILES for magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride is C1CCOC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@@H]6CC(O)(c7ccccc7)C[C@@H]6C5)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5C[C@H]6CC(=O)C[C@H]6C5)cccn4n3)cc2)CC1.[Cl-].[Mg+2].[c-]1ccccc1.

What is the InChIKey of magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride?

The InChIKey is DTFBKTFILTWDMU-WRGHJYKBSA-M. The full InChI is InChI=1S/C33H39N7O2.C27H33N7O2.C6H5.C4H8O.ClH.Mg/c1-37-17-14-28(15-18-37)38(2)31(41)23-10-12-27(13-11-23)34-32-35-30-29(9-6-16-40(30)36-32)39-21-24-19-33(42,20-25(24)22-39)26-7-4-3-5-8-26;1-31-12-9-22(10-13-31)32(2)26(36)18-5-7-21(8-6-18)28-27-29-25-24(4-3-11-34(25)30-27)33-16-19-14-23(35)15-20(19)17-33;1-2-4-6-5-3-1;1-2-4-5-3-1;;/h3-13,16,24-25,28,42H,14-15,17-22H2,1-2H3,(H,34,36);3-8,11,19-20,22H,9-10,12-17H2,1-2H3,(H,28,30);1-5H;1-4H2;1H;/q;;-1;;;+2/p-1/t24-,25+,33?;19-,20+;;;;.

What are the key properties of magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride?

magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride has a molecular weight of 1262.30 g/mol, XLogP of 6.33, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;4-[[8-[(3aS,6aR)-5-hydroxy-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[(3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;benzene;oxolane;chloride is sourced from PubChem (CID 158584434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).