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

C23H20N4O — CID 44539284

IUPAC[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)cc3)c12
InChIInChI=1S/C23H20N4O/c24-22-20-19(26-23(18-7-4-8-18)27(20)14-13-25-22)15-9-11-17(12-10-15)21(28)16-5-2-1-3-6-16/h1-3,5-6,9-14,18H,4,7-8H2,(H2,24,25)
InChIKeyDHHWJYACGIPGPI-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.48
Rot. Bonds4

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

[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone (PubChem CID 44539284) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
PubChem CID44539284
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)cc3)c12
InChIInChI=1S/C23H20N4O/c24-22-20-19(26-23(18-7-4-8-18)27(20)14-13-25-22)15-9-11-17(12-10-15)21(28)16-5-2-1-3-6-16/h1-3,5-6,9-14,18H,4,7-8H2,(H2,24,25)
InChIKeyDHHWJYACGIPGPI-UHFFFAOYSA-N
XLogP4.48
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548
[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
CID 169023625
ethyl 3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 140825201
3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44539386
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde
CID 87657013
carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68898085
cis-(1S,3R)-3-[8-amino-1-[4-[(4-cyclopropyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 121455891
3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 70921906
3-cyclobutyl-1-(3-nitro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539191

Frequently Asked Questions

What is the IUPAC name of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone (CID 44539284) is [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone is Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)cc3)c12.
What is the InChIKey of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone?
The InChIKey is DHHWJYACGIPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c24-22-20-19(26-23(18-7-4-8-18)27(20)14-13-25-22)15-9-11-17(12-10-15)21(28)16-5-2-1-3-6-16/h1-3,5-6,9-14,18H,4,7-8H2,(H2,24,25).
What are the key properties of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone?
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone has a molecular weight of 368.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 44539284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).