1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol

C20H19F2N5O2 — CID 175976655

IUPAC1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ncc(-c2cn3c(-c4cc(C(F)(F)C(C)O)ccc4C)cnc3c(N)n2)o1
InChIInChI=1S/C20H19F2N5O2/c1-10-4-5-13(20(21,22)11(2)28)6-14(10)16-7-25-19-18(23)26-15(9-27(16)19)17-8-24-12(3)29-17/h4-9,11,28H,1-3H3,(H2,23,26)
InChIKeyRNJXZEHOJJGBGI-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.72
Rot. Bonds4

About 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol

1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (PubChem CID 175976655) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
PubChem CID175976655
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ncc(-c2cn3c(-c4cc(C(F)(F)C(C)O)ccc4C)cnc3c(N)n2)o1
InChIInChI=1S/C20H19F2N5O2/c1-10-4-5-13(20(21,22)11(2)28)6-14(10)16-7-25-19-18(23)26-15(9-27(16)19)17-8-24-12(3)29-17/h4-9,11,28H,1-3H3,(H2,23,26)
InChIKeyRNJXZEHOJJGBGI-UHFFFAOYSA-N
XLogP3.72
TPSA102.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The IUPAC name of 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (CID 175976655) is 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is Cc1ncc(-c2cn3c(-c4cc(C(F)(F)C(C)O)ccc4C)cnc3c(N)n2)o1.
What is the InChIKey of 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The InChIKey is RNJXZEHOJJGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-10-4-5-13(20(21,22)11(2)28)6-14(10)16-7-25-19-18(23)26-15(9-27(16)19)17-8-24-12(3)29-17/h4-9,11,28H,1-3H3,(H2,23,26).
What are the key properties of 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol has a molecular weight of 399.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 175976655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).