7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid

C17H16F3N7O2 — CID 146544914

IUPAC7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cc2cc(-c3cnc4c(N)ncnn34)ccn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N7.C2HF3O2/c1-9(2)12-6-11-5-10(3-4-21(11)20-12)13-7-17-15-14(16)18-8-19-22(13)15;3-2(4,5)1(6)7/h3-9H,1-2H3,(H2,16,18,19);(H,6,7)
InChIKeyFLUPQHOYVJUBDY-UHFFFAOYSA-N
MW407.36 g/mol
LogP2.78
Rot. Bonds2

About 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid

7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 146544914) has the molecular formula C17H16F3N7O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID146544914
Molecular FormulaC17H16F3N7O2
Molecular Weight407.36 g/mol
Exact Mass407.13
IUPAC Name7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cc2cc(-c3cnc4c(N)ncnn34)ccn2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N7.C2HF3O2/c1-9(2)12-6-11-5-10(3-4-21(11)20-12)13-7-17-15-14(16)18-8-19-22(13)15;3-2(4,5)1(6)7/h3-9H,1-2H3,(H2,16,18,19);(H,6,7)
InChIKeyFLUPQHOYVJUBDY-UHFFFAOYSA-N
XLogP2.78
TPSA123.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid (CID 146544914) is 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid is CC(C)c1cc2cc(-c3cnc4c(N)ncnn34)ccn2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FLUPQHOYVJUBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7.C2HF3O2/c1-9(2)12-6-11-5-10(3-4-21(11)20-12)13-7-17-15-14(16)18-8-19-22(13)15;3-2(4,5)1(6)7/h3-9H,1-2H3,(H2,16,18,19);(H,6,7).
What are the key properties of 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 407.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146544914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).