2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide

C29H29N7O3 — CID 127026559

IUPAC2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cnc(OC2CCN(c3cnc(NC(=O)Cc4ccccc4)cn3)CC2)cn1
InChIInChI=1S/C29H29N7O3/c37-27(15-21-7-3-1-4-8-21)34-24-17-32-26(19-30-24)36-13-11-23(12-14-36)39-29-20-31-25(18-33-29)35-28(38)16-22-9-5-2-6-10-22/h1-10,17-20,23H,11-16H2,(H,30,34,37)(H,31,35,38)
InChIKeyGGMIKEDSZWGWOK-UHFFFAOYSA-N
MW523.60 g/mol
LogP3.68
Rot. Bonds9

About 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide

2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide (PubChem CID 127026559) has the molecular formula C29H29N7O3 and a molecular weight of 523.60 g/mol. Its IUPAC name is 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide
PubChem CID127026559
Molecular FormulaC29H29N7O3
Molecular Weight523.60 g/mol
Exact Mass523.23
IUPAC Name2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cnc(OC2CCN(c3cnc(NC(=O)Cc4ccccc4)cn3)CC2)cn1
InChIInChI=1S/C29H29N7O3/c37-27(15-21-7-3-1-4-8-21)34-24-17-32-26(19-30-24)36-13-11-23(12-14-36)39-29-20-31-25(18-33-29)35-28(38)16-22-9-5-2-6-10-22/h1-10,17-20,23H,11-16H2,(H,30,34,37)(H,31,35,38)
InChIKeyGGMIKEDSZWGWOK-UHFFFAOYSA-N
XLogP3.68
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.60
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide (CID 127026559) is 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide is O=C(Cc1ccccc1)Nc1cnc(OC2CCN(c3cnc(NC(=O)Cc4ccccc4)cn3)CC2)cn1.
What is the InChIKey of 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide?
The InChIKey is GGMIKEDSZWGWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3/c37-27(15-21-7-3-1-4-8-21)34-24-17-32-26(19-30-24)36-13-11-23(12-14-36)39-29-20-31-25(18-33-29)35-28(38)16-22-9-5-2-6-10-22/h1-10,17-20,23H,11-16H2,(H,30,34,37)(H,31,35,38).
What are the key properties of 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide?
2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide has a molecular weight of 523.60 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-[4-[5-[(2-phenylacetyl)amino]pyrazin-2-yl]oxypiperidin-1-yl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 127026559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).