4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine

C36H52BClN8O4 — CID 160819198

About 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine (PubChem CID 160819198) has the molecular formula C36H52BClN8O4 and a molecular weight of 707.13 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine
• PubChem CID: 160819198
• Molecular Formula: C36H52BClN8O4
• Molecular Weight: 707.13 g/mol
• Exact Mass: 706.39
• IUPAC Name: 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine
• SMILES: CC1COCCN1CCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.CC1COCCN1CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C19H22ClN5O.C17H30BN3O3/c1-14-13-26-8-7-24(14)5-2-6-25-12-16(11-22-25)15-9-18-17(21-10-15)3-4-19(20)23-18;1-14-13-22-10-9-20(14)7-6-8-21-12-15(11-19-21)18-23-16(2,3)17(4,5)24-18/h3-4,9-12,14H,2,5-8,13H2,1H3;11-12,14H,6-10,13H2,1-5H3
• InChIKey: SFHRZDHOVYJHLL-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 104.82 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.13
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine?

The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine (CID 160819198) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine.

What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine?

The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine is CC1COCCN1CCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.CC1COCCN1CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine?

The InChIKey is SFHRZDHOVYJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O.C17H30BN3O3/c1-14-13-26-8-7-24(14)5-2-6-25-12-16(11-22-25)15-9-18-17(21-10-15)3-4-19(20)23-18;1-14-13-22-10-9-20(14)7-6-8-21-12-15(11-19-21)18-23-16(2,3)17(4,5)24-18/h3-4,9-12,14H,2,5-8,13H2,1H3;11-12,14H,6-10,13H2,1-5H3.

What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine?

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine has a molecular weight of 707.13 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 160819198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).