2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide

C29H21ClN6O — CID 10436182

IUPAC2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C29H21ClN6O/c30-23-11-9-20(10-12-23)17-26(37)33-24-8-4-7-22(18-24)25-19-35-15-13-32-28(35)29(34-25)36-16-14-31-27(36)21-5-2-1-3-6-21/h1-16,18-19H,17H2,(H,33,37)
InChIKeyPNLVPDNPBLOPCP-UHFFFAOYSA-N
MW504.98 g/mol
LogP6.08
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide

2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide (PubChem CID 10436182) has the molecular formula C29H21ClN6O and a molecular weight of 504.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
PubChem CID10436182
Molecular FormulaC29H21ClN6O
Molecular Weight504.98 g/mol
Exact Mass504.15
IUPAC Name2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C29H21ClN6O/c30-23-11-9-20(10-12-23)17-26(37)33-24-8-4-7-22(18-24)25-19-35-15-13-32-28(35)29(34-25)36-16-14-31-27(36)21-5-2-1-3-6-21/h1-16,18-19H,17H2,(H,33,37)
InChIKeyPNLVPDNPBLOPCP-UHFFFAOYSA-N
XLogP6.08
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.98
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]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-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide (CID 10436182) is 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
The InChIKey is PNLVPDNPBLOPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClN6O/c30-23-11-9-20(10-12-23)17-26(37)33-24-8-4-7-22(18-24)25-19-35-15-13-32-28(35)29(34-25)36-16-14-31-27(36)21-5-2-1-3-6-21/h1-16,18-19H,17H2,(H,33,37).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide has a molecular weight of 504.98 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[8-(2-phenylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide is sourced from PubChem (CID 10436182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).