2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine

C46H60N10O6 — CID 157487524

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

2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine (PubChem CID 157487524) has the molecular formula C46H60N10O6 and a molecular weight of 849.05 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-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine
• PubChem CID: 157487524
• Molecular Formula: C46H60N10O6
• Molecular Weight: 849.05 g/mol
• Exact Mass: 848.47
• IUPAC Name: 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(CC(=O)NCC(=O)NCCN4CCOCC4)c3)c3ccccc23)cc1.NCCN1CCOCC1
• InChI: InChI=1S/C40H46N8O5.C6H14N2O/c1-27-9-11-29(12-10-27)48-36(25-35(46-48)40(2,3)4)45-39(51)44-33-13-14-34(32-8-6-5-7-31(32)33)53-30-15-16-41-28(23-30)24-37(49)43-26-38(50)42-17-18-47-19-21-52-22-20-47;7-1-2-8-3-5-9-6-4-8/h5-16,23,25H,17-22,24,26H2,1-4H3,(H,42,50)(H,43,49)(H2,44,45,51);1-7H2
• InChIKey: BWWTXXOCUJTGDT-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 190.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.05
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

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-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine?

The IUPAC name of 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine (CID 157487524) is 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine.

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-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine?

The canonical SMILES for 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(CC(=O)NCC(=O)NCCN4CCOCC4)c3)c3ccccc23)cc1.NCCN1CCOCC1.

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-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine?

The InChIKey is BWWTXXOCUJTGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N8O5.C6H14N2O/c1-27-9-11-29(12-10-27)48-36(25-35(46-48)40(2,3)4)45-39(51)44-33-13-14-34(32-8-6-5-7-31(32)33)53-30-15-16-41-28(23-30)24-37(49)43-26-38(50)42-17-18-47-19-21-52-22-20-47;7-1-2-8-3-5-9-6-4-8/h5-16,23,25H,17-22,24,26H2,1-4H3,(H,42,50)(H,43,49)(H2,44,45,51);1-7H2.

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-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine?

2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine has a molecular weight of 849.05 g/mol, XLogP of 4.85, 14 rotatable bonds, 5 hydrogen bond donors, and 12 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-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide;2-morpholin-4-ylethanamine is sourced from PubChem (CID 157487524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).