7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid

C18H17F3N8O2 — CID 146544776

IUPAC7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C1CC1)n1cc2cc(-c3cnc4c(N)ncnn34)cnc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H16N8.C2HF3O2/c1-9(10-2-3-10)23-7-12-4-11(5-18-15(12)22-23)13-6-19-16-14(17)20-8-21-24(13)16;3-2(4,5)1(6)7/h4-10H,2-3H2,1H3,(H2,17,20,21);(H,6,7)
InChIKeyFYJHGCPFQUAYEM-UHFFFAOYSA-N
MW434.38 g/mol
LogP2.72
Rot. Bonds3

About 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid

7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 146544776) has the molecular formula C18H17F3N8O2 and a molecular weight of 434.38 g/mol. Its IUPAC name is 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID146544776
Molecular FormulaC18H17F3N8O2
Molecular Weight434.38 g/mol
Exact Mass434.14
IUPAC Name7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C1CC1)n1cc2cc(-c3cnc4c(N)ncnn34)cnc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H16N8.C2HF3O2/c1-9(10-2-3-10)23-7-12-4-11(5-18-15(12)22-23)13-6-19-16-14(17)20-8-21-24(13)16;3-2(4,5)1(6)7/h4-10H,2-3H2,1H3,(H2,17,20,21);(H,6,7)
InChIKeyFYJHGCPFQUAYEM-UHFFFAOYSA-N
XLogP2.72
TPSA137.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]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-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid (CID 146544776) is 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]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-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid is CC(C1CC1)n1cc2cc(-c3cnc4c(N)ncnn34)cnc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FYJHGCPFQUAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8.C2HF3O2/c1-9(10-2-3-10)23-7-12-4-11(5-18-15(12)22-23)13-6-19-16-14(17)20-8-21-24(13)16;3-2(4,5)1(6)7/h4-10H,2-3H2,1H3,(H2,17,20,21);(H,6,7).
What are the key properties of 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid?
7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 434.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]imidazo[2,1-f][1,2,4]triazin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146544776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).