sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide

C104H141F4N19NaO20- — CID 159281555

About sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide

sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide (PubChem CID 159281555) has the molecular formula C104H141F4N19NaO20- and a molecular weight of 2076.37 g/mol. Its IUPAC name is sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide.

Molecular Properties

• Compound Name: sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide
• PubChem CID: 159281555
• Molecular Formula: C104H141F4N19NaO20-
• Molecular Weight: 2076.37 g/mol
• Exact Mass: 2075.04
• IUPAC Name: sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide
• SMILES: CCOC(=O)C(C(=O)OCC)C(CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.CCOC(=O)CC(CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.CCOC(=O)CC(CC(F)(F)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.CO.COc1ncc(C(CC(=O)O)CC(F)(F)CCCCc2ccc3c(n2)NCCC3)cn1.COc1ncc(C=O)cn1.[NH2-].[Na+].[OH-]
• InChI: InChI=1S/C27H36N4O6.C24H32F2N4O3.C24H32N4O4.C22H28F2N4O3.C6H6N2O2.CH4O.H2N.Na.H2O/c1-4-36-25(33)23(26(34)37-5-2)22(19-16-29-27(35-3)30-17-19)15-21(32)11-7-6-10-20-13-12-18-9-8-14-28-24(18)31-20;1-3-33-21(31)13-18(19-15-28-23(32-2)29-16-19)14-24(25,26)11-5-4-8-20-10-9-17-7-6-12-27-22(17)30-20;1-3-32-22(30)14-18(19-15-26-24(31-2)27-16-19)13-21(29)9-5-4-8-20-11-10-17-7-6-12-25-23(17)28-20;1-31-21-26-13-17(14-27-21)16(11-19(29)30)12-22(23,24)9-3-2-6-18-8-7-15-5-4-10-25-20(15)28-18;1-10-6-7-2-5(4-9)3-8-6;1-2;;;/h12-13,16-17,22-23H,4-11,14-15H2,1-3H3,(H,28,31);9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,27,30);10-11,15-16,18H,3-9,12-14H2,1-2H3,(H,25,28);7-8,13-14,16H,2-6,9-12H2,1H3,(H,25,28)(H,29,30);2-4H,1H3;2H,1H3;1H2;;1H2/q;;;;;;-1;+1;/p-1
• InChIKey: ZCAZVXQPWWBEJB-UHFFFAOYSA-M
• XLogP: 13.48
• TPSA: 552.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 51
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.37
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide?

The IUPAC name of sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide (CID 159281555) is sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide.

What is the SMILES notation for sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide?

The canonical SMILES for sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide is CCOC(=O)C(C(=O)OCC)C(CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.CCOC(=O)CC(CC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.CCOC(=O)CC(CC(F)(F)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.CO.COc1ncc(C(CC(=O)O)CC(F)(F)CCCCc2ccc3c(n2)NCCC3)cn1.COc1ncc(C=O)cn1.[NH2-].[Na+].[OH-].

What is the InChIKey of sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide?

The InChIKey is ZCAZVXQPWWBEJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H36N4O6.C24H32F2N4O3.C24H32N4O4.C22H28F2N4O3.C6H6N2O2.CH4O.H2N.Na.H2O/c1-4-36-25(33)23(26(34)37-5-2)22(19-16-29-27(35-3)30-17-19)15-21(32)11-7-6-10-20-13-12-18-9-8-14-28-24(18)31-20;1-3-33-21(31)13-18(19-15-28-23(32-2)29-16-19)14-24(25,26)11-5-4-8-20-10-9-17-7-6-12-27-22(17)30-20;1-3-32-22(30)14-18(19-15-26-24(31-2)27-16-19)13-21(29)9-5-4-8-20-11-10-17-7-6-12-25-23(17)28-20;1-31-21-26-13-17(14-27-21)16(11-19(29)30)12-22(23,24)9-3-2-6-18-8-7-15-5-4-10-25-20(15)28-18;1-10-6-7-2-5(4-9)3-8-6;1-2;;;/h12-13,16-17,22-23H,4-11,14-15H2,1-3H3,(H,28,31);9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,27,30);10-11,15-16,18H,3-9,12-14H2,1-2H3,(H,25,28);7-8,13-14,16H,2-6,9-12H2,1H3,(H,25,28)(H,29,30);2-4H,1H3;2H,1H3;1H2;;1H2/q;;;;;;-1;+1;/p-1.

What are the key properties of sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide?

sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide has a molecular weight of 2076.37 g/mol, XLogP of 13.48, 51 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azanide;diethyl 2-[1-(2-methoxypyrimidin-5-yl)-3-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]propanedioate;5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid;ethyl 5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;ethyl 3-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate;methanol;2-methoxypyrimidine-5-carbaldehyde;hydroxide is sourced from PubChem (CID 159281555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).