N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide

C27H23N5O3 — CID 52947061

IUPACN-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(Nc2nc(-c3cccc(NC(=O)COc4ccccc4)c3)cn3ccnc23)cc1
InChIInChI=1S/C27H23N5O3/c1-34-22-12-10-20(11-13-22)30-26-27-28-14-15-32(27)17-24(31-26)19-6-5-7-21(16-19)29-25(33)18-35-23-8-3-2-4-9-23/h2-17H,18H2,1H3,(H,29,33)(H,30,31)
InChIKeyWVSMOMDRLAZLCZ-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.17
Rot. Bonds8

About N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide

N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide (PubChem CID 52947061) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide
PubChem CID52947061
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC NameN-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(Nc2nc(-c3cccc(NC(=O)COc4ccccc4)c3)cn3ccnc23)cc1
InChIInChI=1S/C27H23N5O3/c1-34-22-12-10-20(11-13-22)30-26-27-28-14-15-32(27)17-24(31-26)19-6-5-7-21(16-19)29-25(33)18-35-23-8-3-2-4-9-23/h2-17H,18H2,1H3,(H,29,33)(H,30,31)
InChIKeyWVSMOMDRLAZLCZ-UHFFFAOYSA-N
XLogP5.17
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide (CID 52947061) is N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide is COc1ccc(Nc2nc(-c3cccc(NC(=O)COc4ccccc4)c3)cn3ccnc23)cc1.
What is the InChIKey of N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is WVSMOMDRLAZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-34-22-12-10-20(11-13-22)30-26-27-28-14-15-32(27)17-24(31-26)19-6-5-7-21(16-19)29-25(33)18-35-23-8-3-2-4-9-23/h2-17H,18H2,1H3,(H,29,33)(H,30,31).
What are the key properties of N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide?
N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 465.51 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 52947061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).