[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

C22H21ClN6O3 — CID 169023677

IUPAC[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESNc1nccn2c(C3CCC(CO)OC3)nc(-c3cnc(Oc4cccc(Cl)c4)nc3)c12
InChIInChI=1S/C22H21ClN6O3/c23-15-2-1-3-16(8-15)32-22-26-9-14(10-27-22)18-19-20(24)25-6-7-29(19)21(28-18)13-4-5-17(11-30)31-12-13/h1-3,6-10,13,17,30H,4-5,11-12H2,(H2,24,25)
InChIKeyAGMGIISJEGGQBR-UHFFFAOYSA-N
MW452.90 g/mol
LogP3.47
Rot. Bonds5

About [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (PubChem CID 169023677) has the molecular formula C22H21ClN6O3 and a molecular weight of 452.90 g/mol. Its IUPAC name is [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
PubChem CID169023677
Molecular FormulaC22H21ClN6O3
Molecular Weight452.90 g/mol
Exact Mass452.14
IUPAC Name[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESNc1nccn2c(C3CCC(CO)OC3)nc(-c3cnc(Oc4cccc(Cl)c4)nc3)c12
InChIInChI=1S/C22H21ClN6O3/c23-15-2-1-3-16(8-15)32-22-26-9-14(10-27-22)18-19-20(24)25-6-7-29(19)21(28-18)13-4-5-17(11-30)31-12-13/h1-3,6-10,13,17,30H,4-5,11-12H2,(H2,24,25)
InChIKeyAGMGIISJEGGQBR-UHFFFAOYSA-N
XLogP3.47
TPSA120.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
CID 169023625
[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
[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023560
3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 170424093
[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 163583745
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-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539097
1-[3-[(3-bromophenyl)methoxy]phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 59852808
3-cyclobutyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 174621229

Frequently Asked Questions

What is the IUPAC name of [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The IUPAC name of [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (CID 169023677) is [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.
What is the SMILES notation for [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The canonical SMILES for [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is Nc1nccn2c(C3CCC(CO)OC3)nc(-c3cnc(Oc4cccc(Cl)c4)nc3)c12.
What is the InChIKey of [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The InChIKey is AGMGIISJEGGQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O3/c23-15-2-1-3-16(8-15)32-22-26-9-14(10-27-22)18-19-20(24)25-6-7-29(19)21(28-18)13-4-5-17(11-30)31-12-13/h1-3,6-10,13,17,30H,4-5,11-12H2,(H2,24,25).
What are the key properties of [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol has a molecular weight of 452.90 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is sourced from PubChem (CID 169023677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).