[2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate

C18H14F7N5O2 — CID 138619340

IUPAC[2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate
SMILESCc1nc(N)c2ncc(-c3cc(C(OC(=O)C(F)(F)F)(C(F)F)C(F)F)ccc3C)n2n1
InChIInChI=1S/C18H14F7N5O2/c1-7-3-4-9(17(14(19)20,15(21)22)32-16(31)18(23,24)25)5-10(7)11-6-27-13-12(26)28-8(2)29-30(11)13/h3-6,14-15H,1-2H3,(H2,26,28,29)
InChIKeyZOECZLNTBRPHFA-UHFFFAOYSA-N
MW465.33 g/mol
LogP3.82
Rot. Bonds5

About [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate

[2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 138619340) has the molecular formula C18H14F7N5O2 and a molecular weight of 465.33 g/mol. Its IUPAC name is [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate
PubChem CID138619340
Molecular FormulaC18H14F7N5O2
Molecular Weight465.33 g/mol
Exact Mass465.10
IUPAC Name[2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate
SMILESCc1nc(N)c2ncc(-c3cc(C(OC(=O)C(F)(F)F)(C(F)F)C(F)F)ccc3C)n2n1
InChIInChI=1S/C18H14F7N5O2/c1-7-3-4-9(17(14(19)20,15(21)22)32-16(31)18(23,24)25)5-10(7)11-6-27-13-12(26)28-8(2)29-30(11)13/h3-6,14-15H,1-2H3,(H2,26,28,29)
InChIKeyZOECZLNTBRPHFA-UHFFFAOYSA-N
XLogP3.82
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

US10738057, Example 4
CID 138561369
US10738057, Example 7
CID 138561688
US10738057, Example 19
CID 138561796
US10738057, Example 120
CID 138562071
US10738057, Example 264
CID 138562149
US10738057, Example 18
CID 138562236
US10738057, Example 1
CID 138562240
US10738057, Example 24
CID 138562261
US10738057, Example 61
CID 138562282
US10738057, Example 53
CID 138562310
US10738057, Example 13
CID 138562333
US10738057, Example 2
CID 138562529

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate (CID 138619340) is [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate is Cc1nc(N)c2ncc(-c3cc(C(OC(=O)C(F)(F)F)(C(F)F)C(F)F)ccc3C)n2n1.
What is the InChIKey of [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is ZOECZLNTBRPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F7N5O2/c1-7-3-4-9(17(14(19)20,15(21)22)32-16(31)18(23,24)25)5-10(7)11-6-27-13-12(26)28-8(2)29-30(11)13/h3-6,14-15H,1-2H3,(H2,26,28,29).
What are the key properties of [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate?
[2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 465.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-amino-2-methylimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methylphenyl]-1,1,3,3-tetrafluoropropan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 138619340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).