(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane

C34H41F6N5O7 — CID 160595898

About (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane

(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane (PubChem CID 160595898) has the molecular formula C34H41F6N5O7 and a molecular weight of 745.72 g/mol. Its IUPAC name is (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane.

Molecular Properties

• Compound Name: (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane
• PubChem CID: 160595898
• Molecular Formula: C34H41F6N5O7
• Molecular Weight: 745.72 g/mol
• Exact Mass: 745.29
• IUPAC Name: (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane
• SMILES: CCOCC.CC[C@]1(N)C[C@H](c2ncc(OCCCCC(=O)O)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c2nc(OC)ccc2N1C(=O)O
• InChI: InChI=1S/C30H31F6N5O6.C4H10O/c1-3-28(37)14-19(25-21(41(28)27(44)45)7-8-23(40-25)46-2)26-38-15-22(47-9-5-4-6-24(42)43)20(39-26)12-16-10-17(29(31,32)33)13-18(11-16)30(34,35)36;1-3-5-4-2/h7-8,10-11,13,15,19H,3-6,9,12,14,37H2,1-2H3,(H,42,43)(H,44,45);3-4H2,1-2H3/t19-,28+;/m0./s1
• InChIKey: RDPYTUGUZGIUKR-JDPQEGARSA-N
• XLogP: 7.27
• TPSA: 170.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.72
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	3
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 (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane?

The IUPAC name of (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane (CID 160595898) is (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane.

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

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

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

The InChIKey is RDPYTUGUZGIUKR-JDPQEGARSA-N. The full InChI is InChI=1S/C30H31F6N5O6.C4H10O/c1-3-28(37)14-19(25-21(41(28)27(44)45)7-8-23(40-25)46-2)26-38-15-22(47-9-5-4-6-24(42)43)20(39-26)12-16-10-17(29(31,32)33)13-18(11-16)30(34,35)36;1-3-5-4-2/h7-8,10-11,13,15,19H,3-6,9,12,14,37H2,1-2H3,(H,42,43)(H,44,45);3-4H2,1-2H3/t19-,28+;/m0./s1.

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

(2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane has a molecular weight of 745.72 g/mol, XLogP of 7.27, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-2-amino-4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxybutoxy)pyrimidin-2-yl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane is sourced from PubChem (CID 160595898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).