2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide

C18H15F6N5O2 — CID 138561498

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C18H15F6N5O2/c1-8-3-4-9(16(31,15(30)26-2)18(22,23)24)5-10(8)11-6-27-14-13(25)28-12(7-29(11)14)17(19,20)21/h3-7,31H,1-2H3,(H2,25,28)(H,26,30)
InChIKeyOVZMGORTZQEAQS-UHFFFAOYSA-N
MW447.34 g/mol
LogP2.80
Rot. Bonds3

About 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide (PubChem CID 138561498) has the molecular formula C18H15F6N5O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide
PubChem CID138561498
Molecular FormulaC18H15F6N5O2
Molecular Weight447.34 g/mol
Exact Mass447.11
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C18H15F6N5O2/c1-8-3-4-9(16(31,15(30)26-2)18(22,23)24)5-10(8)11-6-27-14-13(25)28-12(7-29(11)14)17(19,20)21/h3-7,31H,1-2H3,(H2,25,28)(H,26,30)
InChIKeyOVZMGORTZQEAQS-UHFFFAOYSA-N
XLogP2.80
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 52.80
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]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide (CID 138561498) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide is CNC(=O)C(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F.
What is the InChIKey of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
The InChIKey is OVZMGORTZQEAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O2/c1-8-3-4-9(16(31,15(30)26-2)18(22,23)24)5-10(8)11-6-27-14-13(25)28-12(7-29(11)14)17(19,20)21/h3-7,31H,1-2H3,(H2,25,28)(H,26,30).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide has a molecular weight of 447.34 g/mol, XLogP of 2.80, 3 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]-3,3,3-trifluoro-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 138561498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).