[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone

C24H22N4O2 — CID 44539388

IUPAC[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone
SMILESCOc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-30-19-14-17(10-11-18(19)22(29)15-6-3-2-4-7-15)20-21-23(25)26-12-13-28(21)24(27-20)16-8-5-9-16/h2-4,6-7,10-14,16H,5,8-9H2,1H3,(H2,25,26)
InChIKeyNWBVPSKGYRPFJM-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.49
Rot. Bonds5

About [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone

[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone (PubChem CID 44539388) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone
PubChem CID44539388
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone
SMILESCOc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-30-19-14-17(10-11-18(19)22(29)15-6-3-2-4-7-15)20-21-23(25)26-12-13-28(21)24(27-20)16-8-5-9-16/h2-4,6-7,10-14,16H,5,8-9H2,1H3,(H2,25,26)
InChIKeyNWBVPSKGYRPFJM-UHFFFAOYSA-N
XLogP4.49
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone?
The IUPAC name of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone (CID 44539388) is [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone?
The canonical SMILES for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone is COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1.
What is the InChIKey of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone?
The InChIKey is NWBVPSKGYRPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-19-14-17(10-11-18(19)22(29)15-6-3-2-4-7-15)20-21-23(25)26-12-13-28(21)24(27-20)16-8-5-9-16/h2-4,6-7,10-14,16H,5,8-9H2,1H3,(H2,25,26).
What are the key properties of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone?
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone has a molecular weight of 398.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone is sourced from PubChem (CID 44539388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).