2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid

C21H19F5N6O4 — CID 138619392

IUPAC2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCc1ncc(-c2nc(N)c3ncc(-c4cc(C(C)(O)C(F)F)ccc4C)n3n2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18F2N6O2.C2HF3O2/c1-9-4-5-11(19(3,28)18(20)21)6-12(9)13-7-24-17-15(22)25-16(26-27(13)17)14-8-23-10(2)29-14;3-2(4,5)1(6)7/h4-8,18,28H,1-3H3,(H2,22,25,26);(H,6,7)
InChIKeySDEWYMNZDVSHHZ-UHFFFAOYSA-N
MW514.41 g/mol
LogP3.75
Rot. Bonds4

About 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid

2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 138619392) has the molecular formula C21H19F5N6O4 and a molecular weight of 514.41 g/mol. Its IUPAC name is 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID138619392
Molecular FormulaC21H19F5N6O4
Molecular Weight514.41 g/mol
Exact Mass514.14
IUPAC Name2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCc1ncc(-c2nc(N)c3ncc(-c4cc(C(C)(O)C(F)F)ccc4C)n3n2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H18F2N6O2.C2HF3O2/c1-9-4-5-11(19(3,28)18(20)21)6-12(9)13-7-24-17-15(22)25-16(26-27(13)17)14-8-23-10(2)29-14;3-2(4,5)1(6)7/h4-8,18,28H,1-3H3,(H2,22,25,26);(H,6,7)
InChIKeySDEWYMNZDVSHHZ-UHFFFAOYSA-N
XLogP3.75
TPSA152.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

US10738057, Example 28
CID 138562185
US10738057, Example 52
CID 138576560
US10738057, Example 68
CID 138619383
US11225486, Example 68
CID 166595613
2-[3-[8-Amino-6-[2-(trideuteriomethyl)pyrazol-3-yl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
CID 138562379
1-[3-[8-Amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-2,2,2-trifluoro-1-(1-methyltetrazol-5-yl)ethanol;2,2,2-trifluoroacetic acid
CID 138562400
2-[3-(4-Amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-ol;2,2,2-trifluoroacetic acid
CID 138619339
2-[3-[4-Amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid
CID 138619344
[2-[3-[4-Amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-yl] 2,2,2-trifluoroacetate
CID 138619345
[2-[3-[4-Amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-yl] 2,2,2-trifluoroacetate
CID 138619394
2-[3-[8-Amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol;2,2,2-trifluoroacetic acid
CID 138619550
[2-[3-[4-Amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoro-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 141672518

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid (CID 138619392) is 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid is Cc1ncc(-c2nc(N)c3ncc(-c4cc(C(C)(O)C(F)F)ccc4C)n3n2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is SDEWYMNZDVSHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2.C2HF3O2/c1-9-4-5-11(19(3,28)18(20)21)6-12(9)13-7-24-17-15(22)25-16(26-27(13)17)14-8-23-10(2)29-14;3-2(4,5)1(6)7/h4-8,18,28H,1-3H3,(H2,22,25,26);(H,6,7).
What are the key properties of 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid?
2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 514.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138619392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).