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

C25H24ClFN4O4 — CID 163583745

IUPAC[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4c(Cl)cnc(N)c34)cc2)c1F
InChIInChI=1S/C25H24ClFN4O4/c1-33-18-3-2-4-19(21(18)27)35-16-8-5-14(6-9-16)22-23-24(28)29-11-20(26)31(23)25(30-22)15-7-10-17(12-32)34-13-15/h2-6,8-9,11,15,17,32H,7,10,12-13H2,1H3,(H2,28,29)
InChIKeyGJSUFTUPHKMNSD-UHFFFAOYSA-N
MW498.94 g/mol
LogP4.83
Rot. Bonds6

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

[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol (PubChem CID 163583745) has the molecular formula C25H24ClFN4O4 and a molecular weight of 498.94 g/mol. Its IUPAC name is [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
PubChem CID163583745
Molecular FormulaC25H24ClFN4O4
Molecular Weight498.94 g/mol
Exact Mass498.15
IUPAC Name[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
SMILESCOc1cccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4c(Cl)cnc(N)c34)cc2)c1F
InChIInChI=1S/C25H24ClFN4O4/c1-33-18-3-2-4-19(21(18)27)35-16-8-5-14(6-9-16)22-23-24(28)29-11-20(26)31(23)25(30-22)15-7-10-17(12-32)34-13-15/h2-6,8-9,11,15,17,32H,7,10,12-13H2,1H3,(H2,28,29)
InChIKeyGJSUFTUPHKMNSD-UHFFFAOYSA-N
XLogP4.83
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[5-[4-amino-7-chloro-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[4,5-c]pyridin-1-yl]oxan-2-yl]methanol
CID 169023575
[5-[8-amino-1-[4-[3-(cyclopropylmethoxy)-2-fluorophenoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023566
[5-[8-amino-1-[4-(2-fluoro-4-methylphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023560
[(2R,5S)-5-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176268
[(2R,5R)-5-[8-amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 165176299
2-[5-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]propan-2-ol
CID 170180281
[5-[8-amino-1-[2-(3-chlorophenoxy)pyrimidin-5-yl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol
CID 169023677
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-(4-methylcyclohexyl)pyrazolo[4,5-c]pyridin-4-amine
CID 155007058
[4-[8-amino-3-[6-(hydroxymethyl)oxan-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-(4-chlorophenyl)methanone
CID 169023625
3-(6-methyloxan-3-yl)-1-[4-(3-methyl-2-phosphanylphenoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 170424093
[4-[8-amino-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]-6-oxabicyclo[3.1.1]hept-4-en-1-yl]methanol
CID 170098887
cis-(1S,3R)-3-[4-amino-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclopentan-1-ol
CID 154638056

Frequently Asked Questions

What is the IUPAC name of [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The IUPAC name of [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) is [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol.
What is the SMILES notation for [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The canonical SMILES for [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is COc1cccc(Oc2ccc(-c3nc(C4CCC(CO)OC4)n4c(Cl)cnc(N)c34)cc2)c1F.
What is the InChIKey of [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
The InChIKey is GJSUFTUPHKMNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O4/c1-33-18-3-2-4-19(21(18)27)35-16-8-5-14(6-9-16)22-23-24(28)29-11-20(26)31(23)25(30-22)15-7-10-17(12-32)34-13-15/h2-6,8-9,11,15,17,32H,7,10,12-13H2,1H3,(H2,28,29).
What are the key properties of [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol?
[5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol has a molecular weight of 498.94 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[8-amino-5-chloro-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]oxan-2-yl]methanol is sourced from PubChem (CID 163583745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).