2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide

C22H19F6N5O2 — CID 138562319

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(=O)NC23CC(C2)C3)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C22H19F6N5O2/c1-10-2-3-12(20(35,22(26,27)28)18(34)32-19-5-11(6-19)7-19)4-13(10)14-8-30-17-16(29)31-15(9-33(14)17)21(23,24)25/h2-4,8-9,11,35H,5-7H2,1H3,(H2,29,31)(H,32,34)
InChIKeyWZKACGWTTILADG-UHFFFAOYSA-N
MW499.42 g/mol
LogP3.72
Rot. Bonds4

About 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 138562319) has the molecular formula C22H19F6N5O2 and a molecular weight of 499.42 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID138562319
Molecular FormulaC22H19F6N5O2
Molecular Weight499.42 g/mol
Exact Mass499.14
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(=O)NC23CC(C2)C3)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C22H19F6N5O2/c1-10-2-3-12(20(35,22(26,27)28)18(34)32-19-5-11(6-19)7-19)4-13(10)14-8-30-17-16(29)31-15(9-33(14)17)21(23,24)25/h2-4,8-9,11,35H,5-7H2,1H3,(H2,29,31)(H,32,34)
InChIKeyWZKACGWTTILADG-UHFFFAOYSA-N
XLogP3.72
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide (CID 138562319) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(=O)NC23CC(C2)C3)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is WZKACGWTTILADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F6N5O2/c1-10-2-3-12(20(35,22(26,27)28)18(34)32-19-5-11(6-19)7-19)4-13(10)14-8-30-17-16(29)31-15(9-33(14)17)21(23,24)25/h2-4,8-9,11,35H,5-7H2,1H3,(H2,29,31)(H,32,34).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 499.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-N-(1-bicyclo[1.1.1]pentanyl)-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 138562319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).