4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide

C38H36N6O3 — CID 23570463

About 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide

4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 23570463) has the molecular formula C38H36N6O3 and a molecular weight of 624.75 g/mol. Its IUPAC name is 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide
• PubChem CID: 23570463
• Molecular Formula: C38H36N6O3
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.28
• IUPAC Name: 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C(=O)N(C)c4ccccc4)c3)c3ccccc23)cc1
• InChI: InChI=1S/C38H36N6O3/c1-25-15-17-27(18-16-25)44-35(24-34(42-44)38(2,3)4)41-37(46)40-31-19-20-33(30-14-10-9-13-29(30)31)47-28-21-22-39-32(23-28)36(45)43(5)26-11-7-6-8-12-26/h6-24H,1-5H3,(H2,40,41,46)
• InChIKey: WNGYNVCIAWSLTD-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.75
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide?

The IUPAC name of 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide (CID 23570463) is 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide.

What is the SMILES notation for 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide?

The canonical SMILES for 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C(=O)N(C)c4ccccc4)c3)c3ccccc23)cc1.

What is the InChIKey of 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide?

The InChIKey is WNGYNVCIAWSLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N6O3/c1-25-15-17-27(18-16-25)44-35(24-34(42-44)38(2,3)4)41-37(46)40-31-19-20-33(30-14-10-9-13-29(30)31)47-28-21-22-39-32(23-28)36(45)43(5)26-11-7-6-8-12-26/h6-24H,1-5H3,(H2,40,41,46).

What are the key properties of 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide?

4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 624.75 g/mol, XLogP of 8.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 23570463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).