[4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol

C26H23FN4O4 — CID 170098887

IUPAC[4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol
SMILESCOc1cccc(Oc2ccc(-c3nc(C4=C5CC(CO)(CC4)O5)n4ccnc(N)c34)cc2)c1F
InChIInChI=1S/C26H23FN4O4/c1-33-18-3-2-4-19(21(18)27)34-16-7-5-15(6-8-16)22-23-24(28)29-11-12-31(23)25(30-22)17-9-10-26(14-32)13-20(17)35-26/h2-8,11-12,32H,9-10,13-14H2,1H3,(H2,28,29)
InChIKeyOVJJEMLTCQJSGN-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.57
Rot. Bonds6

About [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol

[4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol (PubChem CID 170098887) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol.

Molecular Properties

Compound Name[4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol
PubChem CID170098887
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name[4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol
SMILESCOc1cccc(Oc2ccc(-c3nc(C4=C5CC(CO)(CC4)O5)n4ccnc(N)c34)cc2)c1F
InChIInChI=1S/C26H23FN4O4/c1-33-18-3-2-4-19(21(18)27)34-16-7-5-15(6-8-16)22-23-24(28)29-11-12-31(23)25(30-22)17-9-10-26(14-32)13-20(17)35-26/h2-8,11-12,32H,9-10,13-14H2,1H3,(H2,28,29)
InChIKeyOVJJEMLTCQJSGN-UHFFFAOYSA-N
XLogP4.57
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol?
The IUPAC name of [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol (CID 170098887) is [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol.
What is the SMILES notation for [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol?
The canonical SMILES for [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol is COc1cccc(Oc2ccc(-c3nc(C4=C5CC(CO)(CC4)O5)n4ccnc(N)c34)cc2)c1F.
What is the InChIKey of [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol?
The InChIKey is OVJJEMLTCQJSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-33-18-3-2-4-19(21(18)27)34-16-7-5-15(6-8-16)22-23-24(28)29-11-12-31(23)25(30-22)17-9-10-26(14-32)13-20(17)35-26/h2-8,11-12,32H,9-10,13-14H2,1H3,(H2,28,29).
What are the key properties of [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol?
[4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol has a molecular weight of 474.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol is sourced from PubChem (CID 170098887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).