[5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol

C28H26FN5O3 — CID 118102310

IUPAC[5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol
SMILESCC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12
InChIInChI=1S/C28H26FN5O3/c1-17(2)28-33-25(26-27(30)31-9-10-34(26)28)19-4-7-22(8-5-19)37-24-12-20(29)11-23(13-24)36-16-18-3-6-21(15-35)32-14-18/h3-14,17,35H,15-16H2,1-2H3,(H2,30,31)
InChIKeyMFGWOZWQKFGTER-UHFFFAOYSA-N
MW499.55 g/mol
LogP5.50
Rot. Bonds8

About [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol

[5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol (PubChem CID 118102310) has the molecular formula C28H26FN5O3 and a molecular weight of 499.55 g/mol. Its IUPAC name is [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol
PubChem CID118102310
Molecular FormulaC28H26FN5O3
Molecular Weight499.55 g/mol
Exact Mass499.20
IUPAC Name[5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol
SMILESCC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12
InChIInChI=1S/C28H26FN5O3/c1-17(2)28-33-25(26-27(30)31-9-10-34(26)28)19-4-7-22(8-5-19)37-24-12-20(29)11-23(13-24)36-16-18-3-6-21(15-35)32-14-18/h3-14,17,35H,15-16H2,1-2H3,(H2,30,31)
InChIKeyMFGWOZWQKFGTER-UHFFFAOYSA-N
XLogP5.50
TPSA107.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.55
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol?
The IUPAC name of [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol (CID 118102310) is [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol is CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12.
What is the InChIKey of [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol?
The InChIKey is MFGWOZWQKFGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O3/c1-17(2)28-33-25(26-27(30)31-9-10-34(26)28)19-4-7-22(8-5-19)37-24-12-20(29)11-23(13-24)36-16-18-3-6-21(15-35)32-14-18/h3-14,17,35H,15-16H2,1-2H3,(H2,30,31).
What are the key properties of [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol?
[5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol has a molecular weight of 499.55 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)phenoxy]-5-fluorophenoxy]methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 118102310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).