N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide

C19H15N5O — CID 127026494

IUPACN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4ccccc4)c3)cnc12
InChIInChI=1S/C19H15N5O/c20-17-18-22-12-16(24(18)10-9-21-17)14-7-4-8-15(11-14)23-19(25)13-5-2-1-3-6-13/h1-12H,(H2,20,21)(H,23,25)
InChIKeyWHELDGTVMHVCFW-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.23
Rot. Bonds3

About N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide

N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide (PubChem CID 127026494) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide
PubChem CID127026494
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4ccccc4)c3)cnc12
InChIInChI=1S/C19H15N5O/c20-17-18-22-12-16(24(18)10-9-21-17)14-7-4-8-15(11-14)23-19(25)13-5-2-1-3-6-13/h1-12H,(H2,20,21)(H,23,25)
InChIKeyWHELDGTVMHVCFW-UHFFFAOYSA-N
XLogP3.23
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide?
The IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide (CID 127026494) is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide is Nc1nccn2c(-c3cccc(NC(=O)c4ccccc4)c3)cnc12.
What is the InChIKey of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide?
The InChIKey is WHELDGTVMHVCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-17-18-22-12-16(24(18)10-9-21-17)14-7-4-8-15(11-14)23-19(25)13-5-2-1-3-6-13/h1-12H,(H2,20,21)(H,23,25).
What are the key properties of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide?
N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 127026494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).