6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

C48H52F6N8O9 — CID 169236963

About 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide

6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (PubChem CID 169236963) has the molecular formula C48H52F6N8O9 and a molecular weight of 998.98 g/mol. Its IUPAC name is 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
• PubChem CID: 169236963
• Molecular Formula: C48H52F6N8O9
• Molecular Weight: 998.98 g/mol
• Exact Mass: 998.38
• IUPAC Name: 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
• SMILES: CCC(=O)NC1CCC(C)N2CC1n1cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c1C2=O.CCCNC1CCC(C)N2CC1n1cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c1C2=O
• InChI: InChI=1S/C24H25F3N4O5.C24H27F3N4O4/c1-3-19(32)29-17-5-4-11(2)30-10-18(17)31-9-14(21(33)22(34)20(31)24(30)36)23(35)28-8-13-15(26)6-12(25)7-16(13)27;1-3-6-28-18-5-4-12(2)30-11-19(18)31-10-15(21(32)22(33)20(31)24(30)35)23(34)29-9-14-16(26)7-13(25)8-17(14)27/h6-7,9,11,17-18,34H,3-5,8,10H2,1-2H3,(H,28,35)(H,29,32);7-8,10,12,18-19,28,33H,3-6,9,11H2,1-2H3,(H,29,34)
• InChIKey: WNWWJITULJWFHJ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 224.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	998.98
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

The IUPAC name of 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide (CID 169236963) is 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide.

What is the SMILES notation for 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

The canonical SMILES for 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is CCC(=O)NC1CCC(C)N2CC1n1cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c1C2=O.CCCNC1CCC(C)N2CC1n1cc(C(=O)NCc3c(F)cc(F)cc3F)c(=O)c(O)c1C2=O.

What is the InChIKey of 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

The InChIKey is WNWWJITULJWFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O5.C24H27F3N4O4/c1-3-19(32)29-17-5-4-11(2)30-10-18(17)31-9-14(21(33)22(34)20(31)24(30)36)23(35)28-8-13-15(26)6-12(25)7-16(13)27;1-3-6-28-18-5-4-12(2)30-11-19(18)31-10-15(21(32)22(33)20(31)24(30)35)23(34)29-9-14-16(26)7-13(25)8-17(14)27/h6-7,9,11,17-18,34H,3-5,8,10H2,1-2H3,(H,28,35)(H,29,32);7-8,10,12,18-19,28,33H,3-6,9,11H2,1-2H3,(H,29,34).

What are the key properties of 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide?

6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide has a molecular weight of 998.98 g/mol, XLogP of 4.42, 11 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-10-methyl-5,8-dioxo-13-(propanoylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;6-hydroxy-10-methyl-5,8-dioxo-13-(propylamino)-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide is sourced from PubChem (CID 169236963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).