N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide

C29H32N6O3 — CID 11156524

IUPACN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)CN5CCOCC5)c4)c3)c12
InChIInChI=1S/C29H32N6O3/c30-28-27-26(33-29(21-5-2-6-21)35(27)11-10-31-28)22-7-3-9-24(17-22)38-19-20-4-1-8-23(16-20)32-25(36)18-34-12-14-37-15-13-34/h1,3-4,7-11,16-17,21H,2,5-6,12-15,18-19H2,(H2,30,31)(H,32,36)
InChIKeyZRMGDHGEYVIGHT-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.10
Rot. Bonds8

About N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide

N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 11156524) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID11156524
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC NameN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)CN5CCOCC5)c4)c3)c12
InChIInChI=1S/C29H32N6O3/c30-28-27-26(33-29(21-5-2-6-21)35(27)11-10-31-28)22-7-3-9-24(17-22)38-19-20-4-1-8-23(16-20)32-25(36)18-34-12-14-37-15-13-34/h1,3-4,7-11,16-17,21H,2,5-6,12-15,18-19H2,(H2,30,31)(H,32,36)
InChIKeyZRMGDHGEYVIGHT-UHFFFAOYSA-N
XLogP4.10
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide (CID 11156524) is N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)CN5CCOCC5)c4)c3)c12.
What is the InChIKey of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is ZRMGDHGEYVIGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3/c30-28-27-26(33-29(21-5-2-6-21)35(27)11-10-31-28)22-7-3-9-24(17-22)38-19-20-4-1-8-23(16-20)32-25(36)18-34-12-14-37-15-13-34/h1,3-4,7-11,16-17,21H,2,5-6,12-15,18-19H2,(H2,30,31)(H,32,36).
What are the key properties of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide?
N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 512.61 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 11156524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).