(1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide

C32H33F3N4O5 — CID 174172033

About (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide

(1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide (PubChem CID 174172033) has the molecular formula C32H33F3N4O5 and a molecular weight of 610.63 g/mol. Its IUPAC name is (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide.

Molecular Properties

• Compound Name: (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide
• PubChem CID: 174172033
• Molecular Formula: C32H33F3N4O5
• Molecular Weight: 610.63 g/mol
• Exact Mass: 610.24
• IUPAC Name: (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide
• SMILES: CO[C@H]1CC[C@]2(CC[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(OCc4ccccc4)c2C3=O)N1Cc1c(F)cc(F)cc1F
• InChI: InChI=1S/C32H33F3N4O5/c1-18-8-10-32(11-9-26(43-2)39(32)15-21-23(34)12-20(33)13-24(21)35)25-16-37(18)31(42)27-29(44-17-19-6-4-3-5-7-19)28(40)22(30(36)41)14-38(25)27/h3-7,12-14,18,25-26H,8-11,15-17H2,1-2H3,(H2,36,41)/t18-,25+,26-,32-/m0/s1
• InChIKey: ZLMHTSANMRNWAM-AHOFWROHSA-N
• XLogP: 4.13
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.63
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide?

The IUPAC name of (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide (CID 174172033) is (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide.

What is the SMILES notation for (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide?

The canonical SMILES for (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide is CO[C@H]1CC[C@]2(CC[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(OCc4ccccc4)c2C3=O)N1Cc1c(F)cc(F)cc1F.

What is the InChIKey of (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide?

The InChIKey is ZLMHTSANMRNWAM-AHOFWROHSA-N. The full InChI is InChI=1S/C32H33F3N4O5/c1-18-8-10-32(11-9-26(43-2)39(32)15-21-23(34)12-20(33)13-24(21)35)25-16-37(18)31(42)27-29(44-17-19-6-4-3-5-7-19)28(40)22(30(36)41)14-38(25)27/h3-7,12-14,18,25-26H,8-11,15-17H2,1-2H3,(H2,36,41)/t18-,25+,26-,32-/m0/s1.

What are the key properties of (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide?

(1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide has a molecular weight of 610.63 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5'S,10S,13S)-5'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxy-1'-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-pyrrolidine]-4-carboxamide is sourced from PubChem (CID 174172033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).