sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide

C81H104N15NaO12 — CID 157200663

About sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide

sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide (PubChem CID 157200663) has the molecular formula C81H104N15NaO12 and a molecular weight of 1502.81 g/mol. Its IUPAC name is sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide.

Molecular Properties

• Compound Name: sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide
• PubChem CID: 157200663
• Molecular Formula: C81H104N15NaO12
• Molecular Weight: 1502.81 g/mol
• Exact Mass: 1501.79
• IUPAC Name: sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide
• SMILES: C.C1CCNC1.CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(CCCC(C)=O)n1.CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(CCCc2ccc3c(n2)CCCC3)n1.CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(CCCc2ccc3cccnc3n2)n1.Nc1ncccc1C=O.[Na+].[OH-]
• InChI: InChI=1S/C26H32N4O3.C25H27N5O3.C19H25N3O4.C6H6N2O.C4H9N.CH4.Na.H2O/c1-3-33-26(31)17-24(20-12-14-25(32-2)27-18-20)30-16-15-22(29-30)9-6-8-21-13-11-19-7-4-5-10-23(19)28-21;1-3-33-24(31)16-22(19-10-12-23(32-2)27-17-19)30-15-13-21(29-30)8-4-7-20-11-9-18-6-5-14-26-25(18)28-20;1-4-26-19(24)12-17(15-8-9-18(25-3)20-13-15)22-11-10-16(21-22)7-5-6-14(2)23;7-6-5(4-9)2-1-3-8-6;1-2-4-5-3-1;;;/h11-16,18,24H,3-10,17H2,1-2H3;5-6,9-15,17,22H,3-4,7-8,16H2,1-2H3;8-11,13,17H,4-7,12H2,1-3H3;1-4H,(H2,7,8);5H,1-4H2;1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: AQTIQJLTOUHYQL-UHFFFAOYSA-M
• XLogP: 9.28
• TPSA: 352.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1502.81
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

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-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide?

The IUPAC name of sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide (CID 157200663) is sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide.

What is the SMILES notation for sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide?

The canonical SMILES for sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide is C.C1CCNC1.CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(CCCC(C)=O)n1.CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(CCCc2ccc3c(n2)CCCC3)n1.CCOC(=O)CC(c1ccc(OC)nc1)n1ccc(CCCc2ccc3cccnc3n2)n1.Nc1ncccc1C=O.[Na+].[OH-].

What is the InChIKey of sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide?

The InChIKey is AQTIQJLTOUHYQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H32N4O3.C25H27N5O3.C19H25N3O4.C6H6N2O.C4H9N.CH4.Na.H2O/c1-3-33-26(31)17-24(20-12-14-25(32-2)27-18-20)30-16-15-22(29-30)9-6-8-21-13-11-19-7-4-5-10-23(19)28-21;1-3-33-24(31)16-22(19-10-12-23(32-2)27-17-19)30-15-13-21(29-30)8-4-7-20-11-9-18-6-5-14-26-25(18)28-20;1-4-26-19(24)12-17(15-8-9-18(25-3)20-13-15)22-11-10-16(21-22)7-5-6-14(2)23;7-6-5(4-9)2-1-3-8-6;1-2-4-5-3-1;;;/h11-16,18,24H,3-10,17H2,1-2H3;5-6,9-15,17,22H,3-4,7-8,16H2,1-2H3;8-11,13,17H,4-7,12H2,1-3H3;1-4H,(H2,7,8);5H,1-4H2;1H4;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide?

sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide has a molecular weight of 1502.81 g/mol, XLogP of 9.28, 31 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-aminopyridine-3-carbaldehyde;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-(4-oxopentyl)pyrazol-1-yl]propanoate;ethyl 3-(6-methoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoate;methane;pyrrolidine;hydroxide is sourced from PubChem (CID 157200663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).