2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide

C17H14F5N5O2 — CID 138561488

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F5N5O2/c1-7-2-3-8(16(29,14(18)19)15(24)28)4-9(7)10-5-25-13-12(23)26-11(6-27(10)13)17(20,21)22/h2-6,14,29H,1H3,(H2,23,26)(H2,24,28)
InChIKeyREQTYLRNIRUPDJ-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.24
Rot. Bonds4

About 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide (PubChem CID 138561488) has the molecular formula C17H14F5N5O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide
PubChem CID138561488
Molecular FormulaC17H14F5N5O2
Molecular Weight415.32 g/mol
Exact Mass415.11
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F5N5O2/c1-7-2-3-8(16(29,14(18)19)15(24)28)4-9(7)10-5-25-13-12(23)26-11(6-27(10)13)17(20,21)22/h2-6,14,29H,1H3,(H2,23,26)(H2,24,28)
InChIKeyREQTYLRNIRUPDJ-UHFFFAOYSA-N
XLogP2.24
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.24
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-difluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide (CID 138561488) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(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]-3,3-difluoro-2-hydroxypropanamide?
The InChIKey is REQTYLRNIRUPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N5O2/c1-7-2-3-8(16(29,14(18)19)15(24)28)4-9(7)10-5-25-13-12(23)26-11(6-27(10)13)17(20,21)22/h2-6,14,29H,1H3,(H2,23,26)(H2,24,28).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide has a molecular weight of 415.32 g/mol, XLogP of 2.24, 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]-3,3-difluoro-2-hydroxypropanamide is sourced from PubChem (CID 138561488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).