[1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone

C17H15FN4O — CID 134791722

IUPAC[1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc(F)cc2)c2cnccn12)N1CCCC1
InChIInChI=1S/C17H15FN4O/c18-13-5-3-12(4-6-13)15-14-11-19-7-10-22(14)16(20-15)17(23)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2
InChIKeyRSBCUWDHAYUKTD-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.77
Rot. Bonds2

About [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone

[1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134791722) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID134791722
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name[1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc(F)cc2)c2cnccn12)N1CCCC1
InChIInChI=1S/C17H15FN4O/c18-13-5-3-12(4-6-13)15-14-11-19-7-10-22(14)16(20-15)17(23)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2
InChIKeyRSBCUWDHAYUKTD-UHFFFAOYSA-N
XLogP2.77
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone (CID 134791722) is [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc(-c2ccc(F)cc2)c2cnccn12)N1CCCC1.
What is the InChIKey of [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RSBCUWDHAYUKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-5-3-12(4-6-13)15-14-11-19-7-10-22(14)16(20-15)17(23)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9H2.
What are the key properties of [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 310.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134791722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).