sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide

C71H94F3N10NaO14 — CID 158203774

About sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide

sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide (PubChem CID 158203774) has the molecular formula C71H94F3N10NaO14 and a molecular weight of 1391.57 g/mol. Its IUPAC name is sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide.

Molecular Properties

• Compound Name: sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide
• PubChem CID: 158203774
• Molecular Formula: C71H94F3N10NaO14
• Molecular Weight: 1391.57 g/mol
• Exact Mass: 1390.68
• IUPAC Name: sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide
• SMILES: CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)CCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1.CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)CCCc2ccc3c(n2)NCCC3)C1.CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CNC1.[Na+].[OH-]
• InChI: InChI=1S/C31H41FN4O6.C26H33FN4O4.C14H19FN2O3.Na.H2O/c1-6-41-27(38)17-24(22-13-15-25(40-5)33-18-22)31(32)19-35(20-31)26(37)11-7-10-23-14-12-21-9-8-16-36(28(21)34-23)29(39)42-30(2,3)4;1-3-35-24(33)14-21(19-10-12-22(34-2)29-15-19)26(27)16-31(17-26)23(32)8-4-7-20-11-9-18-6-5-13-28-25(18)30-20;1-3-20-13(18)6-11(14(15)8-16-9-14)10-4-5-12(19-2)17-7-10;;/h12-15,18,24H,6-11,16-17,19-20H2,1-5H3;9-12,15,21H,3-8,13-14,16-17H2,1-2H3,(H,28,30);4-5,7,11,16H,3,6,8-9H2,1-2H3;;1H2/q;;;+1;/p-1
• InChIKey: GBGCTNZCOCZMAY-UHFFFAOYSA-M
• XLogP: 6.50
• TPSA: 295.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1391.57
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide?

The IUPAC name of sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide (CID 158203774) is sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide.

What is the SMILES notation for sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide?

The canonical SMILES for sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide is CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)CCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1.CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CN(C(=O)CCCc2ccc3c(n2)NCCC3)C1.CCOC(=O)CC(c1ccc(OC)nc1)C1(F)CNC1.[Na+].[OH-].

What is the InChIKey of sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide?

The InChIKey is GBGCTNZCOCZMAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H41FN4O6.C26H33FN4O4.C14H19FN2O3.Na.H2O/c1-6-41-27(38)17-24(22-13-15-25(40-5)33-18-22)31(32)19-35(20-31)26(37)11-7-10-23-14-12-21-9-8-16-36(28(21)34-23)29(39)42-30(2,3)4;1-3-35-24(33)14-21(19-10-12-22(34-2)29-15-19)26(27)16-31(17-26)23(32)8-4-7-20-11-9-18-6-5-13-28-25(18)30-20;1-3-20-13(18)6-11(14(15)8-16-9-14)10-4-5-12(19-2)17-7-10;;/h12-15,18,24H,6-11,16-17,19-20H2,1-5H3;9-12,15,21H,3-8,13-14,16-17H2,1-2H3,(H,28,30);4-5,7,11,16H,3,6,8-9H2,1-2H3;;1H2/q;;;+1;/p-1.

What are the key properties of sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide?

sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide has a molecular weight of 1391.57 g/mol, XLogP of 6.50, 26 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl 7-[4-[3-[3-ethoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]-3-fluoroazetidin-1-yl]-4-oxobutyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(3-fluoroazetidin-3-yl)-3-(6-methoxy-3-pyridinyl)propanoate;ethyl 3-[3-fluoro-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]azetidin-3-yl]-3-(6-methoxy-3-pyridinyl)propanoate;hydroxide is sourced from PubChem (CID 158203774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).