(5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane

C37H49F2N5O6 — CID 169236872

About (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane

(5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane (PubChem CID 169236872) has the molecular formula C37H49F2N5O6 and a molecular weight of 697.82 g/mol. Its IUPAC name is (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane.

Molecular Properties

• Compound Name: (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane
• PubChem CID: 169236872
• Molecular Formula: C37H49F2N5O6
• Molecular Weight: 697.82 g/mol
• Exact Mass: 697.37
• IUPAC Name: (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane
• SMILES: CC.CCC.COc1ccc(CN2C(C)=NO[C@@]23CC[C@H](C)N2CC3n3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(OC)c3C2=O)cc1.[H][H]
• InChI: InChI=1S/C32H33F2N5O6.C3H8.C2H6.H2/c1-18-11-12-32(39(19(2)36-45-32)15-20-5-9-23(43-3)10-6-20)26-17-37(18)31(42)27-29(44-4)28(40)24(16-38(26)27)30(41)35-14-21-7-8-22(33)13-25(21)34;1-3-2;1-2;/h5-10,13,16,18,26H,11-12,14-15,17H2,1-4H3,(H,35,41);3H2,1-2H3;1-2H3;1H/t18-,26?,32+;;;/m0.../s1
• InChIKey: AFAZJNFCCXYPDV-NTUBJLQISA-N
• XLogP: 6.50
• TPSA: 114.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.82
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane?

The IUPAC name of (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane (CID 169236872) is (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane.

What is the SMILES notation for (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane?

The canonical SMILES for (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane is CC.CCC.COc1ccc(CN2C(C)=NO[C@@]23CC[C@H](C)N2CC3n3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(OC)c3C2=O)cc1.[H][H].

What is the InChIKey of (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane?

The InChIKey is AFAZJNFCCXYPDV-NTUBJLQISA-N. The full InChI is InChI=1S/C32H33F2N5O6.C3H8.C2H6.H2/c1-18-11-12-32(39(19(2)36-45-32)15-20-5-9-23(43-3)10-6-20)26-17-37(18)31(42)27-29(44-4)28(40)24(16-38(26)27)30(41)35-14-21-7-8-22(33)13-25(21)34;1-3-2;1-2;/h5-10,13,16,18,26H,11-12,14-15,17H2,1-4H3,(H,35,41);3H2,1-2H3;1-2H3;1H/t18-,26?,32+;;;/m0.../s1.

What are the key properties of (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane?

(5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane has a molecular weight of 697.82 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane is sourced from PubChem (CID 169236872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).