2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate

C117H139N21O19 — CID 158514545

About 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate

2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate (PubChem CID 158514545) has the molecular formula C117H139N21O19 and a molecular weight of 2143.53 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate.

Molecular Properties

• Compound Name: 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate
• PubChem CID: 158514545
• Molecular Formula: C117H139N21O19
• Molecular Weight: 2143.53 g/mol
• Exact Mass: 2142.06
• IUPAC Name: 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate
• SMILES: COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCC(C)=O)n1.COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCC2(C)OCCO2)n1.COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCc2ccc3c(n2)CCCC3)n1.COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCc2ccc3cccnc3n2)n1.COc1ccc(C(CC(=O)O)c2ccn(CCCc3ccc4c(n3)CCCC4)n2)cn1.Nc1ncccc1C=O
• InChI: InChI=1S/C25H30N4O3.C24H25N5O3.C24H28N4O3.C20H27N3O5.C18H23N3O4.C6H6N2O/c1-31-24-12-10-19(17-26-24)21(16-25(30)32-2)23-13-15-29(28-23)14-5-7-20-11-9-18-6-3-4-8-22(18)27-20;1-31-22-10-8-18(16-26-22)20(15-23(30)32-2)21-11-14-29(28-21)13-4-6-19-9-7-17-5-3-12-25-24(17)27-19;1-31-23-11-9-18(16-25-23)20(15-24(29)30)22-12-14-28(27-22)13-4-6-19-10-8-17-5-2-3-7-21(17)26-19;1-20(27-11-12-28-20)8-4-9-23-10-7-17(22-23)16(13-19(24)26-3)15-5-6-18(25-2)21-14-15;1-13(22)5-4-9-21-10-8-16(20-21)15(11-18(23)25-3)14-6-7-17(24-2)19-12-14;7-6-5(4-9)2-1-3-8-6/h9-13,15,17,21H,3-8,14,16H2,1-2H3;3,5,7-12,14,16,20H,4,6,13,15H2,1-2H3;8-12,14,16,20H,2-7,13,15H2,1H3,(H,29,30);5-7,10,14,16H,4,8-9,11-13H2,1-3H3;6-8,10,12,15H,4-5,9,11H2,1-3H3;1-4H,(H2,7,8)
• InChIKey: HLLWOLZEPXQYIK-UHFFFAOYSA-N
• XLogP: 16.60
• TPSA: 485.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 46
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.53
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

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 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate?

The IUPAC name of 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate (CID 158514545) is 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate.

What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate?

The canonical SMILES for 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate is COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCC(C)=O)n1.COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCC2(C)OCCO2)n1.COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCc2ccc3c(n2)CCCC3)n1.COC(=O)CC(c1ccc(OC)nc1)c1ccn(CCCc2ccc3cccnc3n2)n1.COc1ccc(C(CC(=O)O)c2ccn(CCCc3ccc4c(n3)CCCC4)n2)cn1.Nc1ncccc1C=O.

What is the InChIKey of 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate?

The InChIKey is HLLWOLZEPXQYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C24H25N5O3.C24H28N4O3.C20H27N3O5.C18H23N3O4.C6H6N2O/c1-31-24-12-10-19(17-26-24)21(16-25(30)32-2)23-13-15-29(28-23)14-5-7-20-11-9-18-6-3-4-8-22(18)27-20;1-31-22-10-8-18(16-26-22)20(15-23(30)32-2)21-11-14-29(28-21)13-4-6-19-9-7-17-5-3-12-25-24(17)27-19;1-31-23-11-9-18(16-25-23)20(15-24(29)30)22-12-14-28(27-22)13-4-6-19-10-8-17-5-2-3-7-21(17)26-19;1-20(27-11-12-28-20)8-4-9-23-10-7-17(22-23)16(13-19(24)26-3)15-5-6-18(25-2)21-14-15;1-13(22)5-4-9-21-10-8-16(20-21)15(11-18(23)25-3)14-6-7-17(24-2)19-12-14;7-6-5(4-9)2-1-3-8-6/h9-13,15,17,21H,3-8,14,16H2,1-2H3;3,5,7-12,14,16,20H,4,6,13,15H2,1-2H3;8-12,14,16,20H,2-7,13,15H2,1H3,(H,29,30);5-7,10,14,16H,4,8-9,11-13H2,1-3H3;6-8,10,12,15H,4-5,9,11H2,1-3H3;1-4H,(H2,7,8).

What are the key properties of 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate?

2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate has a molecular weight of 2143.53 g/mol, XLogP of 16.60, 46 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyridine-3-carbaldehyde;3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoic acid;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(1,8-naphthyridin-2-yl)propyl]pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-(4-oxopentyl)pyrazol-3-yl]propanoate;methyl 3-(6-methoxy-3-pyridinyl)-3-[1-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-3-yl]propanoate is sourced from PubChem (CID 158514545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).