1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

C28H26FN5O2 — CID 118102238

IUPAC1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C(C)C)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31)
InChIKeyVFUUBYIJQVZFFW-UHFFFAOYSA-N
MW483.55 g/mol
LogP6.32
Rot. Bonds7

About 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine

1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102238) has the molecular formula C28H26FN5O2 and a molecular weight of 483.55 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID118102238
Molecular FormulaC28H26FN5O2
Molecular Weight483.55 g/mol
Exact Mass483.21
IUPAC Name1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C(C)C)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31)
InChIKeyVFUUBYIJQVZFFW-UHFFFAOYSA-N
XLogP6.32
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine (CID 118102238) is 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nc(C(C)C)n5ccnc(N)c45)cc3)c2)cn1.
What is the InChIKey of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is VFUUBYIJQVZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31).
What are the key properties of 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine?
1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 483.55 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).