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

C19H17F6N5O2 — CID 138562224

IUPACN-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide
SMILESCC(=O)NCC(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C19H17F6N5O2/c1-9-3-4-11(17(32,19(23,24)25)8-28-10(2)31)5-12(9)13-6-27-16-15(26)29-14(7-30(13)16)18(20,21)22/h3-7,32H,8H2,1-2H3,(H2,26,29)(H,28,31)
InChIKeyFNUXHZZAXLONPW-UHFFFAOYSA-N
MW461.37 g/mol
LogP3.19
Rot. Bonds4

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

N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide (PubChem CID 138562224) has the molecular formula C19H17F6N5O2 and a molecular weight of 461.37 g/mol. Its IUPAC name is N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide
PubChem CID138562224
Molecular FormulaC19H17F6N5O2
Molecular Weight461.37 g/mol
Exact Mass461.13
IUPAC NameN-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide
SMILESCC(=O)NCC(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C19H17F6N5O2/c1-9-3-4-11(17(32,19(23,24)25)8-28-10(2)31)5-12(9)13-6-27-16-15(26)29-14(7-30(13)16)18(20,21)22/h3-7,32H,8H2,1-2H3,(H2,26,29)(H,28,31)
InChIKeyFNUXHZZAXLONPW-UHFFFAOYSA-N
XLogP3.19
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-{4-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl]phenyl}-2-pyridyl)acetamide
CID 18668580
1-[8-{[(2,6-Dimethylphenyl)methyl]amino}-3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-2(1H)-pyridinone
CID 24889516
1-[3-[7-[5-(Hydroxymethyl)pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547307
1-[3-[7-[4-(2-Hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547594
N-[6-[3-(hydroxymethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49790220
(S)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)phenyl)pyridin-2-yl)acetamide
CID 54586281
(R)-N-(6-(4-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl)phenyl)pyridin-2-yl)acetamide
CID 54586320
1-[3-[7-[3-(2-Hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44549024
1-[3-[7-[4-(2-Hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168865
1-[3-[7-[3-(2-Hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68170087
1-[3-(Hydroxymethyl)-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766790
US10214546, Example 103
CID 121456503

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
The IUPAC name of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide (CID 138562224) is N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide is CC(=O)NCC(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F.
What is the InChIKey of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
The InChIKey is FNUXHZZAXLONPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N5O2/c1-9-3-4-11(17(32,19(23,24)25)8-28-10(2)31)5-12(9)13-6-27-16-15(26)29-14(7-30(13)16)18(20,21)22/h3-7,32H,8H2,1-2H3,(H2,26,29)(H,28,31).
What are the key properties of N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide?
N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide has a molecular weight of 461.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropyl]acetamide is sourced from PubChem (CID 138562224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).