4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium

C40H42ClN13O4PdY — CID 159737270

About 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium

4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium (PubChem CID 159737270) has the molecular formula C40H42ClN13O4PdY and a molecular weight of 999.64 g/mol. Its IUPAC name is 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium.

Molecular Properties

• Compound Name: 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium
• PubChem CID: 159737270
• Molecular Formula: C40H42ClN13O4PdY
• Molecular Weight: 999.64 g/mol
• Exact Mass: 998.13
• IUPAC Name: 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium
• SMILES: C.COc1cc2c(nc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.COc1cc2c(nc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C4CC4)nn3C)c12.[Pd].[Y]
• InChI: InChI=1S/C23H24N8O2.C16H14ClN5O2.CH4.Pd.Y/c1-10-18(11(2)33-30-10)20-16(32-5)8-14-19-22(24-12(3)25-23(19)28-21(14)27-20)26-17-9-15(13-6-7-13)29-31(17)4;1-6-11(7(2)24-22-6)13-10(23-4)5-9-12-14(17)18-8(3)19-16(12)21-15(9)20-13;;;/h8-9,13H,6-7H2,1-5H3,(H2,24,25,26,27,28);5H,1-4H3,(H,18,19,20,21);1H4
• InChIKey: NBZMDIAYHGKQTD-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 209.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.64
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium?

The IUPAC name of 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium (CID 159737270) is 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium.

What is the SMILES notation for 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium?

The canonical SMILES for 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium is C.COc1cc2c(nc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.COc1cc2c(nc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C4CC4)nn3C)c12.[Pd].[Y].

What is the InChIKey of 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium?

The InChIKey is NBZMDIAYHGKQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2.C16H14ClN5O2.CH4.Pd.Y/c1-10-18(11(2)33-30-10)20-16(32-5)8-14-19-22(24-12(3)25-23(19)28-21(14)27-20)26-17-9-15(13-6-7-13)29-31(17)4;1-6-11(7(2)24-22-6)13-10(23-4)5-9-12-14(17)18-8(3)19-16(12)21-15(9)20-13;;;/h8-9,13H,6-7H2,1-5H3,(H2,24,25,26,27,28);5H,1-4H3,(H,18,19,20,21);1H4;;.

What are the key properties of 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium?

4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium has a molecular weight of 999.64 g/mol, XLogP of 8.83, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chloro-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-11-(3,5-dimethyl-1,2-oxazol-4-yl)-12-methoxy-5-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-3-amine;methane;palladium;yttrium is sourced from PubChem (CID 159737270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).