5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid

C34H38F6N4O7 — CID 154226685

About 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid

5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid (PubChem CID 154226685) has the molecular formula C34H38F6N4O7 and a molecular weight of 728.69 g/mol. Its IUPAC name is 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid.

Molecular Properties

• Compound Name: 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid
• PubChem CID: 154226685
• Molecular Formula: C34H38F6N4O7
• Molecular Weight: 728.69 g/mol
• Exact Mass: 728.26
• IUPAC Name: 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid
• SMILES: CC[C@]1(N)C[C@@H](c2ncc(OCCOC)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(OC)ccc2N1C(=O)OCCCCC(=O)O
• InChI: InChI=1S/C34H38F6N4O7/c1-4-32(41)18-25(30-26(8-9-27(43-30)49-3)44(32)31(47)51-10-6-5-7-28(45)46)29-21(16-24(19-42-29)50-12-11-48-2)13-20-14-22(33(35,36)37)17-23(15-20)34(38,39)40/h8-9,14-17,19,25H,4-7,10-13,18,41H2,1-3H3,(H,45,46)/t25-,32+/m0/s1
• InChIKey: FOBUAFLPOIQFRT-ZOYWYXQUSA-N
• XLogP: 6.94
• TPSA: 146.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.69
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid?

The IUPAC name of 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid (CID 154226685) is 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid.

What is the SMILES notation for 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid?

The canonical SMILES for 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid is CC[C@]1(N)C[C@@H](c2ncc(OCCOC)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(OC)ccc2N1C(=O)OCCCCC(=O)O.

What is the InChIKey of 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid?

The InChIKey is FOBUAFLPOIQFRT-ZOYWYXQUSA-N. The full InChI is InChI=1S/C34H38F6N4O7/c1-4-32(41)18-25(30-26(8-9-27(43-30)49-3)44(32)31(47)51-10-6-5-7-28(45)46)29-21(16-24(19-42-29)50-12-11-48-2)13-20-14-22(33(35,36)37)17-23(15-20)34(38,39)40/h8-9,14-17,19,25H,4-7,10-13,18,41H2,1-3H3,(H,45,46)/t25-,32+/m0/s1.

What are the key properties of 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid?

5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid has a molecular weight of 728.69 g/mol, XLogP of 6.94, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxypentanoic acid is sourced from PubChem (CID 154226685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).