2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C21H23F3N6O3 — CID 150670207

IUPAC2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C21H23F3N6O3/c1-11-2-3-12(20(33,19(26)32)21(22,23)24)8-14(11)15-9-27-17(25)18(28-15)29-6-7-30-13(10-29)4-5-16(30)31/h2-3,8-9,13,33H,4-7,10H2,1H3,(H2,25,27)(H2,26,32)
InChIKeyJFSJGUFSTAKAGV-UHFFFAOYSA-N
MW464.45 g/mol
LogP1.08
Rot. Bonds4

About 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 150670207) has the molecular formula C21H23F3N6O3 and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID150670207
Molecular FormulaC21H23F3N6O3
Molecular Weight464.45 g/mol
Exact Mass464.18
IUPAC Name2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(N2CCN3C(=O)CCC3C2)n1
InChIInChI=1S/C21H23F3N6O3/c1-11-2-3-12(20(33,19(26)32)21(22,23)24)8-14(11)15-9-27-17(25)18(28-15)29-6-7-30-13(10-29)4-5-16(30)31/h2-3,8-9,13,33H,4-7,10H2,1H3,(H2,25,27)(H2,26,32)
InChIKeyJFSJGUFSTAKAGV-UHFFFAOYSA-N
XLogP1.08
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

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Related Compounds

US10214546, Example 159
CID 121456519
US10214546, Example 192
CID 121456533
US10214546, Example 4
CID 121457295
US10214546, Example 71
CID 121464602
US10214546, Example 78
CID 121464628
US10214546, Example 132
CID 121464653
US10214546, Example 199
CID 121464670
US10214546, Example 182
CID 121464789
US10214546, Example 103
CID 121456503
US10214546, Example 207
CID 121456508
US10214546, Example 96
CID 121456517
US10214546, Example 13
CID 121456518

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 150670207) is 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(N2CCN3C(=O)CCC3C2)n1.
What is the InChIKey of 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is JFSJGUFSTAKAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O3/c1-11-2-3-12(20(33,19(26)32)21(22,23)24)8-14(11)15-9-27-17(25)18(28-15)29-6-7-30-13(10-29)4-5-16(30)31/h2-3,8-9,13,33H,4-7,10H2,1H3,(H2,25,27)(H2,26,32).
What are the key properties of 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 464.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 150670207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).