8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide

C23H25F3N6O4 — CID 138562267

IUPAC8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3(C)CCOC3C)cn12
InChIInChI=1S/C23H25F3N6O4/c1-11-4-5-13(22(35,20(28)34)23(24,25)26)8-14(11)16-9-29-18-17(27)30-15(10-32(16)18)19(33)31-21(3)6-7-36-12(21)2/h4-5,8-10,12,35H,6-7H2,1-3H3,(H2,27,30)(H2,28,34)(H,31,33)
InChIKeyZIMYTKSWIRPFNE-UHFFFAOYSA-N
MW506.49 g/mol
LogP1.82
Rot. Bonds5

About 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide

8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138562267) has the molecular formula C23H25F3N6O4 and a molecular weight of 506.49 g/mol. Its IUPAC name is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138562267
Molecular FormulaC23H25F3N6O4
Molecular Weight506.49 g/mol
Exact Mass506.19
IUPAC Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3(C)CCOC3C)cn12
InChIInChI=1S/C23H25F3N6O4/c1-11-4-5-13(22(35,20(28)34)23(24,25)26)8-14(11)16-9-29-18-17(27)30-15(10-32(16)18)19(33)31-21(3)6-7-36-12(21)2/h4-5,8-10,12,35H,6-7H2,1-3H3,(H2,27,30)(H2,28,34)(H,31,33)
InChIKeyZIMYTKSWIRPFNE-UHFFFAOYSA-N
XLogP1.82
TPSA157.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

US10738057, Example 169
CID 138561173
US10738057, Example 260
CID 138561388
US10738057, Example 278
CID 138561392
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 78
CID 138561575
US11225486, Example 71
CID 138561632
US10738057, Example 31
CID 138561641
US10738057, Example 128
CID 138561669
US11186580, Example 9
CID 138561869
US10738057, Example 83
CID 138562051

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 138562267) is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3(C)CCOC3C)cn12.
What is the InChIKey of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is ZIMYTKSWIRPFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O4/c1-11-4-5-13(22(35,20(28)34)23(24,25)26)8-14(11)16-9-29-18-17(27)30-15(10-32(16)18)19(33)31-21(3)6-7-36-12(21)2/h4-5,8-10,12,35H,6-7H2,1-3H3,(H2,27,30)(H2,28,34)(H,31,33).
What are the key properties of 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(2,3-dimethyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138562267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).