[5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

C25H26N4O4 — CID 169023629

IUPAC[5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESCOc1ccccc1Oc1ccc(-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)cc1
InChIInChI=1S/C25H26N4O4/c1-31-20-4-2-3-5-21(20)33-18-9-6-16(7-10-18)22-23-24(26)27-12-13-29(23)25(28-22)17-8-11-19(14-30)32-15-17/h2-7,9-10,12-13,17,19,30H,8,11,14-15H2,1H3,(H2,26,27)
InChIKeyMEBBKOCCLMKUDU-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.03
Rot. Bonds6

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

[5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (PubChem CID 169023629) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
PubChem CID169023629
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name[5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESCOc1ccccc1Oc1ccc(-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)cc1
InChIInChI=1S/C25H26N4O4/c1-31-20-4-2-3-5-21(20)33-18-9-6-16(7-10-18)22-23-24(26)27-12-13-29(23)25(28-22)17-8-11-19(14-30)32-15-17/h2-7,9-10,12-13,17,19,30H,8,11,14-15H2,1H3,(H2,26,27)
InChIKeyMEBBKOCCLMKUDU-UHFFFAOYSA-N
XLogP4.03
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The IUPAC name of [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (CID 169023629) is [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.
What is the SMILES notation for [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The canonical SMILES for [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is COc1ccccc1Oc1ccc(-c2nc(C3CCC(CO)OC3)n3ccnc(N)c23)cc1.
What is the InChIKey of [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The InChIKey is MEBBKOCCLMKUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-31-20-4-2-3-5-21(20)33-18-9-6-16(7-10-18)22-23-24(26)27-12-13-29(23)25(28-22)17-8-11-19(14-30)32-15-17/h2-7,9-10,12-13,17,19,30H,8,11,14-15H2,1H3,(H2,26,27).
What are the key properties of [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
[5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol has a molecular weight of 446.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[8-amino-1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is sourced from PubChem (CID 169023629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).