2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine

C48H65N9O5 — CID 159447552

About 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine

2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine (PubChem CID 159447552) has the molecular formula C48H65N9O5 and a molecular weight of 848.11 g/mol. Its IUPAC name is 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine.

Molecular Properties

• Compound Name: 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine
• PubChem CID: 159447552
• Molecular Formula: C48H65N9O5
• Molecular Weight: 848.11 g/mol
• Exact Mass: 847.51
• IUPAC Name: 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(CC(=O)NCCCCN4CCOCC4)c3)c3ccccc23)cc1.NCCCCN1CCOCC1
• InChI: InChI=1S/C40H47N7O4.C8H18N2O/c1-28-11-13-30(14-12-28)47-37(27-36(45-47)40(2,3)4)44-39(49)43-34-15-16-35(33-10-6-5-9-32(33)34)51-31-17-19-41-29(25-31)26-38(48)42-18-7-8-20-46-21-23-50-24-22-46;9-3-1-2-4-10-5-7-11-8-6-10/h5-6,9-17,19,25,27H,7-8,18,20-24,26H2,1-4H3,(H,42,48)(H2,43,44,49);1-9H2
• InChIKey: LSYIQVISBKUFPN-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 161.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.11
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine?

The IUPAC name of 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine (CID 159447552) is 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine.

What is the SMILES notation for 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine?

The canonical SMILES for 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(CC(=O)NCCCCN4CCOCC4)c3)c3ccccc23)cc1.NCCCCN1CCOCC1.

What is the InChIKey of 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine?

The InChIKey is LSYIQVISBKUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47N7O4.C8H18N2O/c1-28-11-13-30(14-12-28)47-37(27-36(45-47)40(2,3)4)44-39(49)43-34-15-16-35(33-10-6-5-9-32(33)34)51-31-17-19-41-29(25-31)26-38(48)42-18-7-8-20-46-21-23-50-24-22-46;9-3-1-2-4-10-5-7-11-8-6-10/h5-6,9-17,19,25,27H,7-8,18,20-24,26H2,1-4H3,(H,42,48)(H2,43,44,49);1-9H2.

What are the key properties of 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine?

2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine has a molecular weight of 848.11 g/mol, XLogP of 7.29, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-(4-morpholin-4-ylbutyl)acetamide;4-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 159447552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).