2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C20H18F3N5O2S — CID 138562132

IUPAC2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1cnc(-c2cn3c(-c4cc(C(C)(O)C(F)(F)F)ccc4C)cnc3c(N)n2)s1
InChIInChI=1S/C20H18F3N5O2S/c1-10-4-5-11(19(2,29)20(21,22)23)6-12(10)14-7-25-17-16(24)27-13(9-28(14)17)18-26-8-15(30-3)31-18/h4-9,29H,1-3H3,(H2,24,27)
InChIKeyWUZORKHBYODKHM-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.19
Rot. Bonds4

About 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562132) has the molecular formula C20H18F3N5O2S and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562132
Molecular FormulaC20H18F3N5O2S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC Name2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1cnc(-c2cn3c(-c4cc(C(C)(O)C(F)(F)F)ccc4C)cnc3c(N)n2)s1
InChIInChI=1S/C20H18F3N5O2S/c1-10-4-5-11(19(2,29)20(21,22)23)6-12(10)14-7-25-17-16(24)27-13(9-28(14)17)18-26-8-15(30-3)31-18/h4-9,29H,1-3H3,(H2,24,27)
InChIKeyWUZORKHBYODKHM-UHFFFAOYSA-N
XLogP4.19
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

US10738057, Example 20
CID 138561598
US10738057, Example 106
CID 138619352
US10738057, Example 34
CID 138619380
US11225486, Example 70
CID 138619388
2-(3-(5-Amino-6-(2-methylthiazol-5-yl)pyrazin-2-yl)-4-methvlphenyl)-3,3,3-trifluoropropane-1,2-diol trifluoroacetate salt (single enantiomer isolated, believed to be (S)-2-(3-(5-Amino-6-(2-methylthiazol-5-yl)pyrazin-2-yl)-4-methylphenyl)-3,3,3-trifluoropropane-1,2-diol)
CID 139465728
[2,6-Difluoro-3-[2-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 68632982
[2-Fluoro-6-[2-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 68639901
2-[5-[3-[[2-(Difluoromethoxy)phenyl]methyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-yl]propan-2-ol
CID 118235504
(2S)-2-[3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
CID 139465806
[[5-(Morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanol
CID 143902951
2-[3-[8-Amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol;2,2,2-trifluoroacetic acid
CID 155355194
[2-[3-[8-Amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate
CID 155355195

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138562132) is 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is COc1cnc(-c2cn3c(-c4cc(C(C)(O)C(F)(F)F)ccc4C)cnc3c(N)n2)s1.
What is the InChIKey of 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WUZORKHBYODKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2S/c1-10-4-5-11(19(2,29)20(21,22)23)6-12(10)14-7-25-17-16(24)27-13(9-28(14)17)18-26-8-15(30-3)31-18/h4-9,29H,1-3H3,(H2,24,27).
What are the key properties of 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 449.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(5-methoxy-1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).