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

C34H39F6N5O7 — CID 150303747

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

6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid (PubChem CID 150303747) has the molecular formula C34H39F6N5O7 and a molecular weight of 743.70 g/mol. Its IUPAC name is 6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid.

Molecular Properties

• Compound Name: 6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid
• PubChem CID: 150303747
• Molecular Formula: C34H39F6N5O7
• Molecular Weight: 743.70 g/mol
• Exact Mass: 743.28
• IUPAC Name: 6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid
• SMILES: CC[C@]1(N)C[C@H](c2ncc(OCCOC)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c2nc(OC)ccc2N1C(=O)OCCCCCC(=O)O
• InChI: InChI=1S/C34H39F6N5O7/c1-4-32(41)18-23(29-25(9-10-27(44-29)50-3)45(32)31(48)52-11-7-5-6-8-28(46)47)30-42-19-26(51-13-12-49-2)24(43-30)16-20-14-21(33(35,36)37)17-22(15-20)34(38,39)40/h9-10,14-15,17,19,23H,4-8,11-13,16,18,41H2,1-3H3,(H,46,47)/t23-,32+/m0/s1
• InChIKey: GKDUAEJDNKEUPS-JPQMRUPTSA-N
• XLogP: 6.72
• TPSA: 159.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.70
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid (CID 150303747) is 6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid.

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

The canonical SMILES for 6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid is CC[C@]1(N)C[C@H](c2ncc(OCCOC)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c2nc(OC)ccc2N1C(=O)OCCCCCC(=O)O.

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

The InChIKey is GKDUAEJDNKEUPS-JPQMRUPTSA-N. The full InChI is InChI=1S/C34H39F6N5O7/c1-4-32(41)18-23(29-25(9-10-27(44-29)50-3)45(32)31(48)52-11-7-5-6-8-28(46)47)30-42-19-26(51-13-12-49-2)24(43-30)16-20-14-21(33(35,36)37)17-22(15-20)34(38,39)40/h9-10,14-15,17,19,23H,4-8,11-13,16,18,41H2,1-3H3,(H,46,47)/t23-,32+/m0/s1.

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

6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid has a molecular weight of 743.70 g/mol, XLogP of 6.72, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(2-methoxyethoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid is sourced from PubChem (CID 150303747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).