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;2,2,2-trifluoroacetaldehyde;hydroxide

C73H95F6N10NaO15 — CID 158917679

IUPACsodium;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;2,2,2-trifluoroacetaldehyde;hydroxide
SMILESCCOC(=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.O=CC(F)(F)F.[Na+].[OH-]
InChIInChI=1S/C31H41FN4O6.C26H33FN4O4.C14H19FN2O3.C2HF3O.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;3-2(4,5)1-6;;/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;1H;;1H2/q;;;;+1;/p-1
InChIKeyJHLADUJRKCIMPW-UHFFFAOYSA-M
MW1489.60 g/mol
LogP7.25
Rot. Bonds26

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;2,2,2-trifluoroacetaldehyde;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;2,2,2-trifluoroacetaldehyde;hydroxide (PubChem CID 158917679) has the molecular formula C73H95F6N10NaO15 and a molecular weight of 1489.60 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;2,2,2-trifluoroacetaldehyde;hydroxide.

Molecular Properties

Compound Namesodium;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;2,2,2-trifluoroacetaldehyde;hydroxide
PubChem CID158917679
Molecular FormulaC73H95F6N10NaO15
Molecular Weight1489.60 g/mol
Exact Mass1488.68
IUPAC Namesodium;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;2,2,2-trifluoroacetaldehyde;hydroxide
SMILESCCOC(=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.O=CC(F)(F)F.[Na+].[OH-]
InChIInChI=1S/C31H41FN4O6.C26H33FN4O4.C14H19FN2O3.C2HF3O.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;3-2(4,5)1-6;;/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;1H;;1H2/q;;;;+1;/p-1
InChIKeyJHLADUJRKCIMPW-UHFFFAOYSA-M
XLogP7.25
TPSA312.33 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.60
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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;2,2,2-trifluoroacetaldehyde;hydroxide with MolForge

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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;2,2,2-trifluoroacetaldehyde;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;2,2,2-trifluoroacetaldehyde;hydroxide (CID 158917679) 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;2,2,2-trifluoroacetaldehyde;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;2,2,2-trifluoroacetaldehyde;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;2,2,2-trifluoroacetaldehyde;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.O=CC(F)(F)F.[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;2,2,2-trifluoroacetaldehyde;hydroxide?
The InChIKey is JHLADUJRKCIMPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H41FN4O6.C26H33FN4O4.C14H19FN2O3.C2HF3O.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;3-2(4,5)1-6;;/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;1H;;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;2,2,2-trifluoroacetaldehyde;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;2,2,2-trifluoroacetaldehyde;hydroxide has a molecular weight of 1489.60 g/mol, XLogP of 7.25, 26 rotatable bonds, 2 hydrogen bond donors, and 22 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;2,2,2-trifluoroacetaldehyde;hydroxide is sourced from PubChem (CID 158917679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).