5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid

C32H32F9N5O6 — CID 11714715

About 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid

5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid (PubChem CID 11714715) has the molecular formula C32H32F9N5O6 and a molecular weight of 753.62 g/mol. Its IUPAC name is 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid.

Molecular Properties

• Compound Name: 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid
• PubChem CID: 11714715
• Molecular Formula: C32H32F9N5O6
• Molecular Weight: 753.62 g/mol
• Exact Mass: 753.22
• IUPAC Name: 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid
• SMILES: CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCO)cn2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCCCC(=O)O
• InChI: InChI=1S/C32H32F9N5O6/c1-2-21-14-24(27-23(6-7-25(44-27)32(39,40)41)46(21)29(50)52-9-4-3-5-26(48)49)45(28-42-15-22(16-43-28)51-10-8-47)17-18-11-19(30(33,34)35)13-20(12-18)31(36,37)38/h6-7,11-13,15-16,21,24,47H,2-5,8-10,14,17H2,1H3,(H,48,49)/t21-,24?/m1/s1
• InChIKey: QEQOMLBTFKRLDO-CILPGNKCSA-N
• XLogP: 7.43
• TPSA: 138.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.62
LogP ≤ 5	7.43
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)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid?

The IUPAC name of 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid (CID 11714715) is 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid.

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

The canonical SMILES for 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid is CC[C@@H]1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCO)cn2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCCCC(=O)O.

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

The InChIKey is QEQOMLBTFKRLDO-CILPGNKCSA-N. The full InChI is InChI=1S/C32H32F9N5O6/c1-2-21-14-24(27-23(6-7-25(44-27)32(39,40)41)46(21)29(50)52-9-4-3-5-26(48)49)45(28-42-15-22(16-43-28)51-10-8-47)17-18-11-19(30(33,34)35)13-20(12-18)31(36,37)38/h6-7,11-13,15-16,21,24,47H,2-5,8-10,14,17H2,1H3,(H,48,49)/t21-,24?/m1/s1.

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

5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid has a molecular weight of 753.62 g/mol, XLogP of 7.43, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxypentanoic acid is sourced from PubChem (CID 11714715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).