8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide

C22H20F4N6O3 — CID 138562687

IUPAC8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CC(F)(C3)C4)cn12
InChIInChI=1S/C22H20F4N6O3/c1-10-2-3-11(21(35,18(28)34)22(24,25)26)4-12(10)14-5-29-16-15(27)30-13(6-32(14)16)17(33)31-20-7-19(23,8-20)9-20/h2-6,35H,7-9H2,1H3,(H2,27,30)(H2,28,34)(H,31,33)
InChIKeyDIDZWWGHEOVNIK-UHFFFAOYSA-N
MW492.43 g/mol
LogP1.90
Rot. Bonds5

About 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)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-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138562687) has the molecular formula C22H20F4N6O3 and a molecular weight of 492.43 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-fluoro-1-bicyclo[1.1.1]pentanyl)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-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138562687
Molecular FormulaC22H20F4N6O3
Molecular Weight492.43 g/mol
Exact Mass492.15
IUPAC Name8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CC(F)(C3)C4)cn12
InChIInChI=1S/C22H20F4N6O3/c1-10-2-3-11(21(35,18(28)34)22(24,25)26)4-12(10)14-5-29-16-15(27)30-13(6-32(14)16)17(33)31-20-7-19(23,8-20)9-20/h2-6,35H,7-9H2,1H3,(H2,27,30)(H2,28,34)(H,31,33)
InChIKeyDIDZWWGHEOVNIK-UHFFFAOYSA-N
XLogP1.90
TPSA148.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.43
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-fluoro-1-bicyclo[1.1.1]pentanyl)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-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 138562687) is 8-amino-3-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)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-fluoro-1-bicyclo[1.1.1]pentanyl)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-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(=O)NC34CC(F)(C3)C4)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-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is DIDZWWGHEOVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O3/c1-10-2-3-11(21(35,18(28)34)22(24,25)26)4-12(10)14-5-29-16-15(27)30-13(6-32(14)16)17(33)31-20-7-19(23,8-20)9-20/h2-6,35H,7-9H2,1H3,(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-(3-fluoro-1-bicyclo[1.1.1]pentanyl)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-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 492.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 7 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-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138562687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).