3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine

C23H20F2N4 — CID 70921906

IUPAC3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(Cc4cccc(F)c4F)cc3)c12
InChIInChI=1S/C23H20F2N4/c24-18-6-2-5-17(19(18)25)13-14-7-9-15(10-8-14)20-21-22(26)27-11-12-29(21)23(28-20)16-3-1-4-16/h2,5-12,16H,1,3-4,13H2,(H2,26,27)
InChIKeyGFUWZTZNEVKJLS-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.11
Rot. Bonds4

About 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 70921906) has the molecular formula C23H20F2N4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID70921906
Molecular FormulaC23H20F2N4
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(Cc4cccc(F)c4F)cc3)c12
InChIInChI=1S/C23H20F2N4/c24-18-6-2-5-17(19(18)25)13-14-7-9-15(10-8-14)20-21-22(26)27-11-12-29(21)23(28-20)16-3-1-4-16/h2,5-12,16H,1,3-4,13H2,(H2,26,27)
InChIKeyGFUWZTZNEVKJLS-UHFFFAOYSA-N
XLogP5.11
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 70921906) is 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3ccc(Cc4cccc(F)c4F)cc3)c12.
What is the InChIKey of 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is GFUWZTZNEVKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4/c24-18-6-2-5-17(19(18)25)13-14-7-9-15(10-8-14)20-21-22(26)27-11-12-29(21)23(28-20)16-3-1-4-16/h2,5-12,16H,1,3-4,13H2,(H2,26,27).
What are the key properties of 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 390.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 70921906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).