N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide

C24H31N5O4 — CID 175656235

About N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide (PubChem CID 175656235) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide.

Molecular Properties

• Compound Name: N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide
• PubChem CID: 175656235
• Molecular Formula: C24H31N5O4
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.24
• IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide
• SMILES: Cc1c(NC(=O)CN2CCOC3(C/C=C/Cc4ccccc4OCCNC3=O)C2)cnn1C
• InChI: InChI=1S/C24H31N5O4/c1-18-20(15-26-28(18)2)27-22(30)16-29-12-14-33-24(17-29)10-6-5-8-19-7-3-4-9-21(19)32-13-11-25-23(24)31/h3-7,9,15H,8,10-14,16-17H2,1-2H3,(H,25,31)(H,27,30)/b6-5+
• InChIKey: JIEVSIOKKXXBMY-AATRIKPKSA-N
• XLogP: 1.44
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide?

The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide (CID 175656235) is N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide.

What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide?

The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide is Cc1c(NC(=O)CN2CCOC3(C/C=C/Cc4ccccc4OCCNC3=O)C2)cnn1C.

What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide?

The InChIKey is JIEVSIOKKXXBMY-AATRIKPKSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-18-20(15-26-28(18)2)27-22(30)16-29-12-14-33-24(17-29)10-6-5-8-19-7-3-4-9-21(19)32-13-11-25-23(24)31/h3-7,9,15H,8,10-14,16-17H2,1-2H3,(H,25,31)(H,27,30)/b6-5+.

What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide?

N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethylpyrazol-4-yl)-2-[(9E)-6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),9,12,14-tetraene-7,2'-morpholine]-4'-yl]acetamide is sourced from PubChem (CID 175656235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).