1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine

C24H23FN4O2 — CID 135338043

IUPAC1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCCNC4)n4ccncc34)cc2)c1F
InChIInChI=1S/C24H23FN4O2/c1-30-20-5-2-6-21(22(20)25)31-18-9-7-16(8-10-18)23-19-15-27-12-13-29(19)24(28-23)17-4-3-11-26-14-17/h2,5-10,12-13,15,17,26H,3-4,11,14H2,1H3
InChIKeyUTMFEAOEJUAFEU-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.80
Rot. Bonds5

About 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine

1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine (PubChem CID 135338043) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine
PubChem CID135338043
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCCNC4)n4ccncc34)cc2)c1F
InChIInChI=1S/C24H23FN4O2/c1-30-20-5-2-6-21(22(20)25)31-18-9-7-16(8-10-18)23-19-15-27-12-13-29(19)24(28-23)17-4-3-11-26-14-17/h2,5-10,12-13,15,17,26H,3-4,11,14H2,1H3
InChIKeyUTMFEAOEJUAFEU-UHFFFAOYSA-N
XLogP4.80
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine?
The IUPAC name of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine (CID 135338043) is 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine is COc1cccc(Oc2ccc(-c3nc(C4CCCNC4)n4ccncc34)cc2)c1F.
What is the InChIKey of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine?
The InChIKey is UTMFEAOEJUAFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-30-20-5-2-6-21(22(20)25)31-18-9-7-16(8-10-18)23-19-15-27-12-13-29(19)24(28-23)17-4-3-11-26-14-17/h2,5-10,12-13,15,17,26H,3-4,11,14H2,1H3.
What are the key properties of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine?
1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine has a molecular weight of 418.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 135338043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).