8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide

C22H23F3N6O4 — CID 138562198

IUPAC8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3CCOCC3)cn12
InChIInChI=1S/C22H23F3N6O4/c1-11-2-3-12(21(34,20(27)33)22(23,24)25)8-14(11)16-9-28-18-17(26)30-15(10-31(16)18)19(32)29-13-4-6-35-7-5-13/h2-3,8-10,13,34H,4-7H2,1H3,(H2,26,30)(H2,27,33)(H,29,32)
InChIKeyHVPPZEIHFZVMFM-UHFFFAOYSA-N
MW492.46 g/mol
LogP1.43
Rot. Bonds5

About 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(oxan-4-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-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138562198) has the molecular formula C22H23F3N6O4 and a molecular weight of 492.46 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-(oxan-4-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-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138562198
Molecular FormulaC22H23F3N6O4
Molecular Weight492.46 g/mol
Exact Mass492.17
IUPAC Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC3CCOCC3)cn12
InChIInChI=1S/C22H23F3N6O4/c1-11-2-3-12(21(34,20(27)33)22(23,24)25)8-14(11)16-9-28-18-17(26)30-15(10-31(16)18)19(32)29-13-4-6-35-7-5-13/h2-3,8-10,13,34H,4-7H2,1H3,(H2,26,30)(H2,27,33)(H,29,32)
InChIKeyHVPPZEIHFZVMFM-UHFFFAOYSA-N
XLogP1.43
TPSA157.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-(oxan-4-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-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 138562198) is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(oxan-4-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-(oxan-4-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-(oxan-4-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)NC3CCOCC3)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-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is HVPPZEIHFZVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O4/c1-11-2-3-12(21(34,20(27)33)22(23,24)25)8-14(11)16-9-28-18-17(26)30-15(10-31(16)18)19(32)29-13-4-6-35-7-5-13/h2-3,8-10,13,34H,4-7H2,1H3,(H2,26,30)(H2,27,33)(H,29,32).
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-(oxan-4-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-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 1.43, 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-(oxan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138562198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).