2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol

C27H31FN4O4 — CID 170180281

IUPAC2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCC(C(C)(C)O)OC4)n4c3C(N)=NCC4)cc2)c1F
InChIInChI=1S/C27H31FN4O4/c1-27(2,33)21-12-9-17(15-35-21)26-31-23(24-25(29)30-13-14-32(24)26)16-7-10-18(11-8-16)36-20-6-4-5-19(34-3)22(20)28/h4-8,10-11,17,21,33H,9,12-15H2,1-3H3,(H2,29,30)
InChIKeyLOGVEEGLPMULFS-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.24
Rot. Bonds6

About 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol

2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol (PubChem CID 170180281) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol
PubChem CID170180281
Molecular FormulaC27H31FN4O4
Molecular Weight494.57 g/mol
Exact Mass494.23
IUPAC Name2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCC(C(C)(C)O)OC4)n4c3C(N)=NCC4)cc2)c1F
InChIInChI=1S/C27H31FN4O4/c1-27(2,33)21-12-9-17(15-35-21)26-31-23(24-25(29)30-13-14-32(24)26)16-7-10-18(11-8-16)36-20-6-4-5-19(34-3)22(20)28/h4-8,10-11,17,21,33H,9,12-15H2,1-3H3,(H2,29,30)
InChIKeyLOGVEEGLPMULFS-UHFFFAOYSA-N
XLogP4.24
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol (CID 170180281) is 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol is COc1cccc(Oc2ccc(-c3nc(C4CCC(C(C)(C)O)OC4)n4c3C(N)=NCC4)cc2)c1F.
What is the InChIKey of 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol?
The InChIKey is LOGVEEGLPMULFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-27(2,33)21-12-9-17(15-35-21)26-31-23(24-25(29)30-13-14-32(24)26)16-7-10-18(11-8-16)36-20-6-4-5-19(34-3)22(20)28/h4-8,10-11,17,21,33H,9,12-15H2,1-3H3,(H2,29,30).
What are the key properties of 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol?
2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol has a molecular weight of 494.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol is sourced from PubChem (CID 170180281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).