2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine

C42H45N9O5 — CID 157201912

About 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine

2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 157201912) has the molecular formula C42H45N9O5 and a molecular weight of 755.88 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-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

• Compound Name: 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine
• PubChem CID: 157201912
• Molecular Formula: C42H45N9O5
• Molecular Weight: 755.88 g/mol
• Exact Mass: 755.35
• IUPAC Name: 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine
• SMILES: Cc1cc(CN)on1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(CC(=O)NCc4cc(C)no4)c3)c3ccccc23)cc1
• InChI: InChI=1S/C37H37N7O4.C5H8N2O/c1-23-10-12-26(13-11-23)44-34(21-33(42-44)37(3,4)5)41-36(46)40-31-14-15-32(30-9-7-6-8-29(30)31)47-27-16-17-38-25(19-27)20-35(45)39-22-28-18-24(2)43-48-28;1-4-2-5(3-6)8-7-4/h6-19,21H,20,22H2,1-5H3,(H,39,45)(H2,40,41,46);2H,3,6H2,1H3
• InChIKey: AQWWGAYNCAJHSZ-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 188.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	755.88
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine?

The IUPAC name of 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine (CID 157201912) is 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine.

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-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine?

The canonical SMILES for 2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine is Cc1cc(CN)on1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(CC(=O)NCc4cc(C)no4)c3)c3ccccc23)cc1.

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-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine?

The InChIKey is AQWWGAYNCAJHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N7O4.C5H8N2O/c1-23-10-12-26(13-11-23)44-34(21-33(42-44)37(3,4)5)41-36(46)40-31-14-15-32(30-9-7-6-8-29(30)31)47-27-16-17-38-25(19-27)20-35(45)39-22-28-18-24(2)43-48-28;1-4-2-5(3-6)8-7-4/h6-19,21H,20,22H2,1-5H3,(H,39,45)(H2,40,41,46);2H,3,6H2,1H3.

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-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine?

2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 755.88 g/mol, XLogP of 8.06, 10 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-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide;(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 157201912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).