sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide

C130H145F4N10NaO24S4 — CID 159882792

About sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide

sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide (PubChem CID 159882792) has the molecular formula C130H145F4N10NaO24S4 and a molecular weight of 2458.89 g/mol. Its IUPAC name is sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide
• PubChem CID: 159882792
• Molecular Formula: C130H145F4N10NaO24S4
• Molecular Weight: 2458.89 g/mol
• Exact Mass: 2456.91
• IUPAC Name: sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide
• SMILES: CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCC(C)=O)cn1S(=O)(=O)c1ccc(C)cc1.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCC(C)O)cn1S(=O)(=O)c1ccc(C)cc1.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCc2ccc3c(n2)NCCC3)cn1S(=O)(=O)c1ccc(C)cc1.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCc2ccc3cccnc3n2)cn1S(=O)(=O)c1ccc(C)cc1.Nc1ncccc1C=O.[Na+].[OH-]
• InChI: InChI=1S/C34H38FN3O5S.C34H34FN3O5S.C28H34FNO6S.C28H32FNO6S.C6H6N2O.Na.H2O/c2*1-4-43-33(39)21-29(26-13-17-32(42-3)30(35)20-26)31-19-24(22-38(31)44(40,41)28-15-10-23(2)11-16-28)7-5-9-27-14-12-25-8-6-18-36-34(25)37-27;2*1-5-36-28(32)17-24(22-11-14-27(35-4)25(29)16-22)26-15-21(8-6-7-20(3)31)18-30(26)37(33,34)23-12-9-19(2)10-13-23;7-6-5(4-9)2-1-3-8-6;;/h10-17,19-20,22,29H,4-9,18,21H2,1-3H3,(H,36,37);6,8,10-20,22,29H,4-5,7,9,21H2,1-3H3;9-16,18,20,24,31H,5-8,17H2,1-4H3;9-16,18,24H,5-8,17H2,1-4H3;1-4H,(H2,7,8);;1H2/q;;;;;+1;/p-1
• InChIKey: NTSWNFLLZAILTM-UHFFFAOYSA-M
• XLogP: 20.03
• TPSA: 472.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 49
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.89
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide?

The IUPAC name of sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide (CID 159882792) is sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide.

What is the SMILES notation for sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide?

The canonical SMILES for sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide is CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCC(C)=O)cn1S(=O)(=O)c1ccc(C)cc1.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCC(C)O)cn1S(=O)(=O)c1ccc(C)cc1.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCc2ccc3c(n2)NCCC3)cn1S(=O)(=O)c1ccc(C)cc1.CCOC(=O)CC(c1ccc(OC)c(F)c1)c1cc(CCCc2ccc3cccnc3n2)cn1S(=O)(=O)c1ccc(C)cc1.Nc1ncccc1C=O.[Na+].[OH-].

What is the InChIKey of sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide?

The InChIKey is NTSWNFLLZAILTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H38FN3O5S.C34H34FN3O5S.C28H34FNO6S.C28H32FNO6S.C6H6N2O.Na.H2O/c2*1-4-43-33(39)21-29(26-13-17-32(42-3)30(35)20-26)31-19-24(22-38(31)44(40,41)28-15-10-23(2)11-16-28)7-5-9-27-14-12-25-8-6-18-36-34(25)37-27;2*1-5-36-28(32)17-24(22-11-14-27(35-4)25(29)16-22)26-15-21(8-6-7-20(3)31)18-30(26)37(33,34)23-12-9-19(2)10-13-23;7-6-5(4-9)2-1-3-8-6;;/h10-17,19-20,22,29H,4-9,18,21H2,1-3H3,(H,36,37);6,8,10-20,22,29H,4-5,7,9,21H2,1-3H3;9-16,18,20,24,31H,5-8,17H2,1-4H3;9-16,18,24H,5-8,17H2,1-4H3;1-4H,(H2,7,8);;1H2/q;;;;;+1;/p-1.

What are the key properties of sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide?

sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide has a molecular weight of 2458.89 g/mol, XLogP of 20.03, 49 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[4-(4-hydroxypentyl)-1-(4-methylphenyl)sulfonylpyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-(4-oxopentyl)pyrrol-2-yl]propanoate;ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrol-2-yl]propanoate;hydroxide is sourced from PubChem (CID 159882792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).