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

C23H22N4O — CID 71553143

IUPAC[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(C(O)c4ccccc4)cc3)c12
InChIInChI=1S/C23H22N4O/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/h1-3,5-6,9-14,18,21,28H,4,7-8H2,(H2,24,25)
InChIKeyMHAAGGKKTADGMH-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.33
Rot. Bonds4

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

[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol (PubChem CID 71553143) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol
PubChem CID71553143
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(C(O)c4ccccc4)cc3)c12
InChIInChI=1S/C23H22N4O/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/h1-3,5-6,9-14,18,21,28H,4,7-8H2,(H2,24,25)
InChIKeyMHAAGGKKTADGMH-UHFFFAOYSA-N
XLogP4.33
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
(3-Methyl-5-{[4-(2-phenyl-1h-imidazol-1-yl)pyrimidin-2-yl]amino}phenyl)methanol
CID 5329428
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CID 25211051
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
3-[8-Amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44538590
Cis-3-[8-Amino-1-(4-Phenoxyphenyl)imidazo[1,5-A]pyrazin-3-Yl]cyclobutanol
CID 44539087
3-[8-Amino-1-(4-benzylphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 57961044
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
C2-substituted purine deriv. 3f
CID 6538954
(4-Methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 2881527
2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343
5-Phenyl-7-(4-hydroxymethylphenyl)-4-aminopyrrolo[2,3-d]pyrimidine
CID 10471016

Frequently Asked Questions

What is the IUPAC name of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol?
The IUPAC name of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol (CID 71553143) is [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol.
What is the SMILES notation for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol?
The canonical SMILES for [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol 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]-phenylmethanol?
The InChIKey is MHAAGGKKTADGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/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/h1-3,5-6,9-14,18,21,28H,4,7-8H2,(H2,24,25).
What are the key properties of [4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol?
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol has a molecular weight of 370.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 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]-phenylmethanol is sourced from PubChem (CID 71553143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).