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

C24H25F3N4O7 — CID 169236763

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

(4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 169236763) has the molecular formula C24H25F3N4O7 and a molecular weight of 538.48 g/mol. Its IUPAC name is (4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

• Compound Name: (4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• PubChem CID: 169236763
• Molecular Formula: C24H25F3N4O7
• Molecular Weight: 538.48 g/mol
• Exact Mass: 538.17
• IUPAC Name: (4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• SMILES: COC1NO[C@@]2(CC[C@H](C)N3CC2n2cc(C(=O)NCc4c(F)cc(F)cc4F)c(=O)c(O)c2C3=O)[C@H]1O
• InChI: InChI=1S/C24H25F3N4O7/c1-10-3-4-24(20(34)22(37-2)29-38-24)16-9-30(10)23(36)17-19(33)18(32)13(8-31(16)17)21(35)28-7-12-14(26)5-11(25)6-15(12)27/h5-6,8,10,16,20,22,29,33-34H,3-4,7,9H2,1-2H3,(H,28,35)/t10-,16?,20-,22?,24+/m0/s1
• InChIKey: MUFLEWRSBOEHKJ-WDGZUPAKSA-N
• XLogP: 0.69
• TPSA: 142.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.48
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 169236763) is (4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

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

The canonical SMILES for (4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is COC1NO[C@@]2(CC[C@H](C)N3CC2n2cc(C(=O)NCc4c(F)cc(F)cc4F)c(=O)c(O)c2C3=O)[C@H]1O.

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

The InChIKey is MUFLEWRSBOEHKJ-WDGZUPAKSA-N. The full InChI is InChI=1S/C24H25F3N4O7/c1-10-3-4-24(20(34)22(37-2)29-38-24)16-9-30(10)23(36)17-19(33)18(32)13(8-31(16)17)21(35)28-7-12-14(26)5-11(25)6-15(12)27/h5-6,8,10,16,20,22,29,33-34H,3-4,7,9H2,1-2H3,(H,28,35)/t10-,16?,20-,22?,24+/m0/s1.

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

(4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 538.48 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R,10'S)-4,6'-dihydroxy-3-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 169236763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).