3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide

C32H31N5O3 — CID 155807269

About 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide

3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide (PubChem CID 155807269) has the molecular formula C32H31N5O3 and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide
• PubChem CID: 155807269
• Molecular Formula: C32H31N5O3
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.24
• IUPAC Name: 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide
• SMILES: COc1cccc(C(=O)NCCCNc2cc(-c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)ccn2)c1
• InChI: InChI=1S/C32H31N5O3/c1-39-27-13-6-9-24(19-27)31-29(22-37(36-31)26-11-4-3-5-12-26)23-15-18-34-30(21-23)33-16-8-17-35-32(38)25-10-7-14-28(20-25)40-2/h3-7,9-15,18-22H,8,16-17H2,1-2H3,(H,33,34)(H,35,38)
• InChIKey: OBJSYIOWZPFDPM-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 90.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide?

The IUPAC name of 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide (CID 155807269) is 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide.

What is the SMILES notation for 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide?

The canonical SMILES for 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide is COc1cccc(C(=O)NCCCNc2cc(-c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)ccn2)c1.

What is the InChIKey of 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide?

The InChIKey is OBJSYIOWZPFDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O3/c1-39-27-13-6-9-24(19-27)31-29(22-37(36-31)26-11-4-3-5-12-26)23-15-18-34-30(21-23)33-16-8-17-35-32(38)25-10-7-14-28(20-25)40-2/h3-7,9-15,18-22H,8,16-17H2,1-2H3,(H,33,34)(H,35,38).

What are the key properties of 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide?

3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide has a molecular weight of 533.63 g/mol, XLogP of 5.85, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide is sourced from PubChem (CID 155807269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).