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

C20H18F3N5O3 — CID 138619383

IUPAC2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ncc(-c2cn3c(-c4cc(C(O)(CO)C(F)(F)F)ccc4C)cnc3c(N)n2)o1
InChIInChI=1S/C20H18F3N5O3/c1-10-3-4-12(19(30,9-29)20(21,22)23)5-13(10)15-6-26-18-17(24)27-14(8-28(15)18)16-7-25-11(2)31-16/h3-8,29-30H,9H2,1-2H3,(H2,24,27)
InChIKeyRQKYFZGSJSHECE-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.99
Rot. Bonds4

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

2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (PubChem CID 138619383) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
PubChem CID138619383
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ncc(-c2cn3c(-c4cc(C(O)(CO)C(F)(F)F)ccc4C)cnc3c(N)n2)o1
InChIInChI=1S/C20H18F3N5O3/c1-10-3-4-12(19(30,9-29)20(21,22)23)5-13(10)15-6-26-18-17(24)27-14(8-28(15)18)16-7-25-11(2)31-16/h3-8,29-30H,9H2,1-2H3,(H2,24,27)
InChIKeyRQKYFZGSJSHECE-UHFFFAOYSA-N
XLogP2.99
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The IUPAC name of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (CID 138619383) is 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.
What is the SMILES notation for 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The canonical SMILES for 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is Cc1ncc(-c2cn3c(-c4cc(C(O)(CO)C(F)(F)F)ccc4C)cnc3c(N)n2)o1.
What is the InChIKey of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The InChIKey is RQKYFZGSJSHECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-10-3-4-12(19(30,9-29)20(21,22)23)5-13(10)15-6-26-18-17(24)27-14(8-28(15)18)16-7-25-11(2)31-16/h3-8,29-30H,9H2,1-2H3,(H2,24,27).
What are the key properties of 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol has a molecular weight of 433.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(2-methyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 138619383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).