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

C19H18F2N6O2 — CID 138576560

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
SMILESCc1ncc(-c2nc(N)c3ncc(-c4cc(C(C)(O)C(F)F)ccc4C)n3n2)o1
InChIInChI=1S/C19H18F2N6O2/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/h4-8,18,28H,1-3H3,(H2,22,25,26)
InChIKeyRSRNWKDDJOZBSO-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.12
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-[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 (PubChem CID 138576560) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 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.

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
PubChem CID138576560
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
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
SMILESCc1ncc(-c2nc(N)c3ncc(-c4cc(C(C)(O)C(F)F)ccc4C)n3n2)o1
InChIInChI=1S/C19H18F2N6O2/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/h4-8,18,28H,1-3H3,(H2,22,25,26)
InChIKeyRSRNWKDDJOZBSO-UHFFFAOYSA-N
XLogP3.12
TPSA115.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 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

US11225486, Example 71
CID 138561632
US10738057, Example 28
CID 138562185
US10738057, Example 2
CID 138562529
US10738057, Example 51
CID 138576392
US10738057, Example 68
CID 138619383
US11225486, Example 68
CID 166595613
2-[3-(4-Amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-4,4,4-trifluorobutan-2-ol
CID 177374262
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-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
[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-[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
[2-[3-[4-Amino-2-(2-methylpyrazol-3-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoro-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 141672554

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?
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 (CID 138576560) 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.
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?
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 is Cc1ncc(-c2nc(N)c3ncc(-c4cc(C(C)(O)C(F)F)ccc4C)n3n2)o1.
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?
The InChIKey is RSRNWKDDJOZBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/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/h4-8,18,28H,1-3H3,(H2,22,25,26).
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-[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 has a molecular weight of 400.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 138576560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).