[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone

C25H23ClN4O3 — CID 169023625

IUPAC[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
SMILESNc1nccn2c(C3CCC(CO)OC3)nc(-c3ccc(C(=O)c4ccc(Cl)cc4)cc3)c12
InChIInChI=1S/C25H23ClN4O3/c26-19-8-5-17(6-9-19)23(32)16-3-1-15(2-4-16)21-22-24(27)28-11-12-30(22)25(29-21)18-7-10-20(13-31)33-14-18/h1-6,8-9,11-12,18,20,31H,7,10,13-14H2,(H2,27,28)
InChIKeyQMSZBXAACPPGSG-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.12
Rot. Bonds5

About [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone

[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone (PubChem CID 169023625) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
PubChem CID169023625
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
SMILESNc1nccn2c(C3CCC(CO)OC3)nc(-c3ccc(C(=O)c4ccc(Cl)cc4)cc3)c12
InChIInChI=1S/C25H23ClN4O3/c26-19-8-5-17(6-9-19)23(32)16-3-1-15(2-4-16)21-22-24(27)28-11-12-30(22)25(29-21)18-7-10-20(13-31)33-14-18/h1-6,8-9,11-12,18,20,31H,7,10,13-14H2,(H2,27,28)
InChIKeyQMSZBXAACPPGSG-UHFFFAOYSA-N
XLogP4.12
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023677
[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023560
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023566
[(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176299
N-[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]-2-fluoro-5-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
CID 169023605
3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 170424093
(6R,8aS)-6-[1-(4-acetylphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 121456555
3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44539386
4-[8-amino-3-[1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 71223125
acetic acid;4-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
CID 144510068

Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone (CID 169023625) is [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone is Nc1nccn2c(C3CCC(CO)OC3)nc(-c3ccc(C(=O)c4ccc(Cl)cc4)cc3)c12.
What is the InChIKey of [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone?
The InChIKey is QMSZBXAACPPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c26-19-8-5-17(6-9-19)23(32)16-3-1-15(2-4-16)21-22-24(27)28-11-12-30(22)25(29-21)18-7-10-20(13-31)33-14-18/h1-6,8-9,11-12,18,20,31H,7,10,13-14H2,(H2,27,28).
What are the key properties of [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone?
[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 462.94 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 169023625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).