3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide

C24H23N5O2 — CID 11269934

IUPAC3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)C1
InChIInChI=1S/C24H23N5O2/c25-22-21-20(16-7-4-8-19(13-16)31-14-15-5-2-1-3-6-15)28-24(29(21)10-9-27-22)18-11-17(12-18)23(26)30/h1-10,13,17-18H,11-12,14H2,(H2,25,27)(H2,26,30)
InChIKeyRRIWPQTVSGGHDS-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.54
Rot. Bonds6

About 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide

3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide (PubChem CID 11269934) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
PubChem CID11269934
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)C1
InChIInChI=1S/C24H23N5O2/c25-22-21-20(16-7-4-8-19(13-16)31-14-15-5-2-1-3-6-15)28-24(29(21)10-9-27-22)18-11-17(12-18)23(26)30/h1-10,13,17-18H,11-12,14H2,(H2,25,27)(H2,26,30)
InChIKeyRRIWPQTVSGGHDS-UHFFFAOYSA-N
XLogP3.54
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide (CID 11269934) is 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide is NC(=O)C1CC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)C1.
What is the InChIKey of 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is RRIWPQTVSGGHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-22-21-20(16-7-4-8-19(13-16)31-14-15-5-2-1-3-6-15)28-24(29(21)10-9-27-22)18-11-17(12-18)23(26)30/h1-10,13,17-18H,11-12,14H2,(H2,25,27)(H2,26,30).
What are the key properties of 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide?
3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 11269934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).