3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C24H22F2N4O — CID 44538590

IUPAC3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc(C(F)(F)c4ccccc4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)
InChIKeyQXYZHRYXSNHAFM-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.75
Rot. Bonds4

About 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 44538590) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID44538590
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc(C(F)(F)c4ccccc4)cc3)c3c(N)nccn23)C1
InChIInChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)
InChIKeyQXYZHRYXSNHAFM-UHFFFAOYSA-N
XLogP4.75
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 44538590) is 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(c2nc(-c3ccc(C(F)(F)c4ccccc4)cc3)c3c(N)nccn23)C1.
What is the InChIKey of 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is QXYZHRYXSNHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28).
What are the key properties of 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 420.46 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-[4-[difluoro(phenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 44538590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).