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

C24H25F3N6O4 — CID 138562051

IUPAC8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-cyclopropyloxolan-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(C4CC4)CCOC3)cn12
InChIInChI=1S/C24H25F3N6O4/c1-12-2-3-14(23(36,21(29)35)24(25,26)27)8-15(12)17-9-30-19-18(28)31-16(10-33(17)19)20(34)32-22(13-4-5-13)6-7-37-11-22/h2-3,8-10,13,36H,4-7,11H2,1H3,(H2,28,31)(H2,29,35)(H,32,34)
InChIKeyDCYZEOIFZLZNRS-UHFFFAOYSA-N
MW518.50 g/mol
LogP1.82
Rot. Bonds6

About 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-cyclopropyloxolan-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-(3-cyclopropyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138562051) has the molecular formula C24H25F3N6O4 and a molecular weight of 518.50 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-(3-cyclopropyloxolan-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-(3-cyclopropyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138562051
Molecular FormulaC24H25F3N6O4
Molecular Weight518.50 g/mol
Exact Mass518.19
IUPAC Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-cyclopropyloxolan-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(C4CC4)CCOC3)cn12
InChIInChI=1S/C24H25F3N6O4/c1-12-2-3-14(23(36,21(29)35)24(25,26)27)8-15(12)17-9-30-19-18(28)31-16(10-33(17)19)20(34)32-22(13-4-5-13)6-7-37-11-22/h2-3,8-10,13,36H,4-7,11H2,1H3,(H2,28,31)(H2,29,35)(H,32,34)
InChIKeyDCYZEOIFZLZNRS-UHFFFAOYSA-N
XLogP1.82
TPSA157.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.50
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-(3-cyclopropyloxolan-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 76
CID 138561482
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 78
CID 138561575
US10738057, Example 31
CID 138561641
US10738057, Example 77
CID 138561656
US10738057, Example 128
CID 138561669
US11186580, Example 9
CID 138561869

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-(3-cyclopropyloxolan-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-(3-cyclopropyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 138562051) is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-cyclopropyloxolan-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-(3-cyclopropyloxolan-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-(3-cyclopropyloxolan-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(C4CC4)CCOC3)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-(3-cyclopropyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is DCYZEOIFZLZNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O4/c1-12-2-3-14(23(36,21(29)35)24(25,26)27)8-15(12)17-9-30-19-18(28)31-16(10-33(17)19)20(34)32-22(13-4-5-13)6-7-37-11-22/h2-3,8-10,13,36H,4-7,11H2,1H3,(H2,28,31)(H2,29,35)(H,32,34).
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-(3-cyclopropyloxolan-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-(3-cyclopropyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 1.82, 6 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-(3-cyclopropyloxolan-3-yl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138562051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).