1-[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 175976654

IUPAC1-[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(F)(F)C(C)O)ccc4C)n3n2)o1
InChIInChI=1S/C19H18F2N6O2/c1-9-4-5-12(19(20,21)10(2)28)6-13(9)14-7-24-18-16(22)25-17(26-27(14)18)15-8-23-11(3)29-15/h4-8,10,28H,1-3H3,(H2,22,25,26)
InChIKeyZYYYSELQBWBOSQ-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.12
Rot. Bonds4

About 1-[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

1-[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 175976654) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is 1-[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 Name1-[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 CID175976654
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
IUPAC Name1-[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(F)(F)C(C)O)ccc4C)n3n2)o1
InChIInChI=1S/C19H18F2N6O2/c1-9-4-5-12(19(20,21)10(2)28)6-13(9)14-7-24-18-16(22)25-17(26-27(14)18)15-8-23-11(3)29-15/h4-8,10,28H,1-3H3,(H2,22,25,26)
InChIKeyZYYYSELQBWBOSQ-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 1-[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

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Frequently Asked Questions

What is the IUPAC name of 1-[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 1-[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 175976654) is 1-[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 1-[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 1-[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(F)(F)C(C)O)ccc4C)n3n2)o1.
What is the InChIKey of 1-[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 ZYYYSELQBWBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c1-9-4-5-12(19(20,21)10(2)28)6-13(9)14-7-24-18-16(22)25-17(26-27(14)18)15-8-23-11(3)29-15/h4-8,10,28H,1-3H3,(H2,22,25,26).
What are the key properties of 1-[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?
1-[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 1-[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 175976654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).