N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C29H28N6O2 — CID 24752876

IUPACN-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3c(Nc4ccc(Oc5ccccc5)cc4)nccn23)cc1
InChIInChI=1S/C29H28N6O2/c1-34(2)18-16-31-29(36)22-10-8-21(9-11-22)26-20-32-28-27(30-17-19-35(26)28)33-23-12-14-25(15-13-23)37-24-6-4-3-5-7-24/h3-15,17,19-20H,16,18H2,1-2H3,(H,30,33)(H,31,36)
InChIKeyTZSCIGZFBJFWEH-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.22
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 24752876) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID24752876
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cnc3c(Nc4ccc(Oc5ccccc5)cc4)nccn23)cc1
InChIInChI=1S/C29H28N6O2/c1-34(2)18-16-31-29(36)22-10-8-21(9-11-22)26-20-32-28-27(30-17-19-35(26)28)33-23-12-14-25(15-13-23)37-24-6-4-3-5-7-24/h3-15,17,19-20H,16,18H2,1-2H3,(H,30,33)(H,31,36)
InChIKeyTZSCIGZFBJFWEH-UHFFFAOYSA-N
XLogP5.22
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 24752876) is N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide is CN(C)CCNC(=O)c1ccc(-c2cnc3c(Nc4ccc(Oc5ccccc5)cc4)nccn23)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is TZSCIGZFBJFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-34(2)18-16-31-29(36)22-10-8-21(9-11-22)26-20-32-28-27(30-17-19-35(26)28)33-23-12-14-25(15-13-23)37-24-6-4-3-5-7-24/h3-15,17,19-20H,16,18H2,1-2H3,(H,30,33)(H,31,36).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 492.58 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[8-(4-phenoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 24752876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).