6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

C14H16ClF3N4O3 — CID 170351698

IUPAC6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOC1CCN(c2n[nH]c3cc(Cl)ncc23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15ClN4O.C2HF3O2/c1-18-8-2-4-17(5-3-8)12-9-7-14-11(13)6-10(9)15-16-12;3-2(4,5)1(6)7/h6-8H,2-5H2,1H3,(H,15,16);(H,6,7)
InChIKeyWALOUKIHXUCGCS-UHFFFAOYSA-N
MW380.75 g/mol
LogP2.86
Rot. Bonds2

About 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid

6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 170351698) has the molecular formula C14H16ClF3N4O3 and a molecular weight of 380.75 g/mol. Its IUPAC name is 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID170351698
Molecular FormulaC14H16ClF3N4O3
Molecular Weight380.75 g/mol
Exact Mass380.09
IUPAC Name6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOC1CCN(c2n[nH]c3cc(Cl)ncc23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15ClN4O.C2HF3O2/c1-18-8-2-4-17(5-3-8)12-9-7-14-11(13)6-10(9)15-16-12;3-2(4,5)1(6)7/h6-8H,2-5H2,1H3,(H,15,16);(H,6,7)
InChIKeyWALOUKIHXUCGCS-UHFFFAOYSA-N
XLogP2.86
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 170351698) is 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is COC1CCN(c2n[nH]c3cc(Cl)ncc23)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is WALOUKIHXUCGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O.C2HF3O2/c1-18-8-2-4-17(5-3-8)12-9-7-14-11(13)6-10(9)15-16-12;3-2(4,5)1(6)7/h6-8H,2-5H2,1H3,(H,15,16);(H,6,7).
What are the key properties of 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 380.75 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170351698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).