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

C24H23FN4O2 — CID 139465912

IUPAC1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCCCN4)n4ccncc34)cc2)c1F
InChIInChI=1S/C24H23FN4O2/c1-30-20-6-4-7-21(22(20)25)31-17-10-8-16(9-11-17)23-19-15-26-13-14-29(19)24(28-23)18-5-2-3-12-27-18/h4,6-11,13-15,18,27H,2-3,5,12H2,1H3
InChIKeySJGWZVZXVINMKB-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.15
Rot. Bonds5

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

1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine (PubChem CID 139465912) 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-2-ylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine
PubChem CID139465912
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCCCN4)n4ccncc34)cc2)c1F
InChIInChI=1S/C24H23FN4O2/c1-30-20-6-4-7-21(22(20)25)31-17-10-8-16(9-11-17)23-19-15-26-13-14-29(19)24(28-23)18-5-2-3-12-27-18/h4,6-11,13-15,18,27H,2-3,5,12H2,1H3
InChIKeySJGWZVZXVINMKB-UHFFFAOYSA-N
XLogP5.15
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-3-ylimidazo[1,5-a]pyrazine
CID 135338043
2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoacetamide
CID 135338118
N-(2-fluoro-3-methoxyphenyl)-4-[3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzamide
CID 139465914
1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one;1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-[(3R)-piperidin-3-yl]imidazo[1,5-a]pyrazine;methane;prop-2-enoyl chloride
CID 160568851
(E)-2-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile
CID 135337720
1-[2-[1-[4-(2-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 135337421
1-[2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methylimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
CID 139465849
1-[2-[1-[4-(3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one
CID 135337772
4-[3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(2-fluoro-3-methoxyphenyl)benzamide
CID 135337436
1-[2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-methoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 139465836
1-[2-[1-[4-(3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 135337686
1-[(2S)-2-[1-[4-(3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 135337537

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine?
The IUPAC name of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine (CID 139465912) is 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine is COc1cccc(Oc2ccc(-c3nc(C4CCCCN4)n4ccncc34)cc2)c1F.
What is the InChIKey of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine?
The InChIKey is SJGWZVZXVINMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-30-20-6-4-7-21(22(20)25)31-17-10-8-16(9-11-17)23-19-15-26-13-14-29(19)24(28-23)18-5-2-3-12-27-18/h4,6-11,13-15,18,27H,2-3,5,12H2,1H3.
What are the key properties of 1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine?
1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-3-piperidin-2-ylimidazo[1,5-a]pyrazine has a molecular weight of 418.47 g/mol, XLogP of 5.15, 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-2-ylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 139465912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).