5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid

C16H16F3N5O3 — CID 86711258

IUPAC5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2c(c1)ccn2-c1noc(C2CCNCC2)n1
InChIInChI=1S/C14H15N5O.C2HF3O2/c1-2-10-5-9-19(12(10)16-6-1)14-17-13(20-18-14)11-3-7-15-8-4-11;3-2(4,5)1(6)7/h1-2,5-6,9,11,15H,3-4,7-8H2;(H,6,7)
InChIKeyODRWCQWAJNXMHA-UHFFFAOYSA-N
MW383.33 g/mol
LogP2.51
Rot. Bonds2

About 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid

5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid (PubChem CID 86711258) has the molecular formula C16H16F3N5O3 and a molecular weight of 383.33 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
PubChem CID86711258
Molecular FormulaC16H16F3N5O3
Molecular Weight383.33 g/mol
Exact Mass383.12
IUPAC Name5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2c(c1)ccn2-c1noc(C2CCNCC2)n1
InChIInChI=1S/C14H15N5O.C2HF3O2/c1-2-10-5-9-19(12(10)16-6-1)14-17-13(20-18-14)11-3-7-15-8-4-11;3-2(4,5)1(6)7/h1-2,5-6,9,11,15H,3-4,7-8H2;(H,6,7)
InChIKeyODRWCQWAJNXMHA-UHFFFAOYSA-N
XLogP2.51
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid (CID 86711258) is 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc2c(c1)ccn2-c1noc(C2CCNCC2)n1.
What is the InChIKey of 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is ODRWCQWAJNXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.C2HF3O2/c1-2-10-5-9-19(12(10)16-6-1)14-17-13(20-18-14)11-3-7-15-8-4-11;3-2(4,5)1(6)7/h1-2,5-6,9,11,15H,3-4,7-8H2;(H,6,7).
What are the key properties of 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid?
5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 383.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-pyrrolo[2,3-b]pyridin-1-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86711258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).