[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

C25H25FN4O3 — CID 169023560

IUPAC[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESCc1ccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4ccnc(N)c34)cc2)c(F)c1
InChIInChI=1S/C25H25FN4O3/c1-15-2-9-21(20(26)12-15)33-18-6-3-16(4-7-18)22-23-24(27)28-10-11-30(23)25(29-22)17-5-8-19(13-31)32-14-17/h2-4,6-7,9-12,17,19,31H,5,8,13-14H2,1H3,(H2,27,28)
InChIKeyCLRXNRAUJRGTER-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.47
Rot. Bonds5

About [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol

[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (PubChem CID 169023560) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
PubChem CID169023560
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESCc1ccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4ccnc(N)c34)cc2)c(F)c1
InChIInChI=1S/C25H25FN4O3/c1-15-2-9-21(20(26)12-15)33-18-6-3-16(4-7-18)22-23-24(27)28-10-11-30(23)25(29-22)17-5-8-19(13-31)32-14-17/h2-4,6-7,9-12,17,19,31H,5,8,13-14H2,1H3,(H2,27,28)
InChIKeyCLRXNRAUJRGTER-UHFFFAOYSA-N
XLogP4.47
TPSA94.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023566
[(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176299
[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
CID 169023625
[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023677
3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 170424093
[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 163583745
N-[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]-2-fluoro-5-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
CID 169023605
3-[4-[(dimethylamino)methyl]cyclohexyl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539097
ethane;1-[4-[3-fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 144847025
1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane
CID 144846985
ethyl 3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 140825201

Frequently Asked Questions

What is the IUPAC name of [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The IUPAC name of [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (CID 169023560) is [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.
What is the SMILES notation for [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The canonical SMILES for [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is Cc1ccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4ccnc(N)c34)cc2)c(F)c1.
What is the InChIKey of [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The InChIKey is CLRXNRAUJRGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-15-2-9-21(20(26)12-15)33-18-6-3-16(4-7-18)22-23-24(27)28-10-11-30(23)25(29-22)17-5-8-19(13-31)32-14-17/h2-4,6-7,9-12,17,19,31H,5,8,13-14H2,1H3,(H2,27,28).
What are the key properties of [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol has a molecular weight of 448.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is sourced from PubChem (CID 169023560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).