[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

C24H24N4O3 — CID 165176268

IUPAC[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESNc1nccn2c([C@@H]3CC[C@H](CO)OC3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H24N4O3/c25-23-22-21(16-6-9-19(10-7-16)31-18-4-2-1-3-5-18)27-24(28(22)13-12-26-23)17-8-11-20(14-29)30-15-17/h1-7,9-10,12-13,17,20,29H,8,11,14-15H2,(H2,25,26)/t17-,20-/m1/s1
InChIKeySUCDULDECQZRQT-YLJYHZDGSA-N
MW416.48 g/mol
LogP4.03
Rot. Bonds5

About [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (PubChem CID 165176268) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
PubChem CID165176268
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESNc1nccn2c([C@@H]3CC[C@H](CO)OC3)nc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H24N4O3/c25-23-22-21(16-6-9-19(10-7-16)31-18-4-2-1-3-5-18)27-24(28(22)13-12-26-23)17-8-11-20(14-29)30-15-17/h1-7,9-10,12-13,17,20,29H,8,11,14-15H2,(H2,25,26)/t17-,20-/m1/s1
InChIKeySUCDULDECQZRQT-YLJYHZDGSA-N
XLogP4.03
TPSA94.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[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
[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023677
[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
CID 169023625
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539097
3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 170424093
1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]ethanone
CID 154658368
ethyl 3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 140825201
[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
3-(4-aminophenyl)-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44538701
benzyl formate;1-(4-phenoxyphenyl)-3-piperidin-3-ylimidazo[1,5-a]pyrazin-8-amine
CID 146482911

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (CID 165176268) is [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is Nc1nccn2c([C@@H]3CC[C@H](CO)OC3)nc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The InChIKey is SUCDULDECQZRQT-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H24N4O3/c25-23-22-21(16-6-9-19(10-7-16)31-18-4-2-1-3-5-18)27-24(28(22)13-12-26-23)17-8-11-20(14-29)30-15-17/h1-7,9-10,12-13,17,20,29H,8,11,14-15H2,(H2,25,26)/t17-,20-/m1/s1.
What are the key properties of [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol has a molecular weight of 416.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is sourced from PubChem (CID 165176268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).