[6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate

C14H14ClF3N4O3 — CID 170351696

IUPAC[6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate
SMILESCOC1CCN(c2nn(OC(=O)C(F)(F)F)c3cc(Cl)ncc23)CC1
InChIInChI=1S/C14H14ClF3N4O3/c1-24-8-2-4-21(5-3-8)12-9-7-19-11(15)6-10(9)22(20-12)25-13(23)14(16,17)18/h6-8H,2-5H2,1H3
InChIKeyXCIPUWGNCAYWJO-UHFFFAOYSA-N
MW378.74 g/mol
LogP2.22
Rot. Bonds3

About [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate

[6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 170351696) has the molecular formula C14H14ClF3N4O3 and a molecular weight of 378.74 g/mol. Its IUPAC name is [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate
PubChem CID170351696
Molecular FormulaC14H14ClF3N4O3
Molecular Weight378.74 g/mol
Exact Mass378.07
IUPAC Name[6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate
SMILESCOC1CCN(c2nn(OC(=O)C(F)(F)F)c3cc(Cl)ncc23)CC1
InChIInChI=1S/C14H14ClF3N4O3/c1-24-8-2-4-21(5-3-8)12-9-7-19-11(15)6-10(9)22(20-12)25-13(23)14(16,17)18/h6-8H,2-5H2,1H3
InChIKeyXCIPUWGNCAYWJO-UHFFFAOYSA-N
XLogP2.22
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[6-Chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 117775606
(3R)-1-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-ol
CID 117802129
(R)-1-(6-Chloro-1-((S*)-1,1,1-trifluoropropan-2-yl)-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidin-3-ol
CID 122509895
1-[6-Chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-ol
CID 122509896
4-[6-Chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine
CID 123664140
[6-Chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate
CID 170351591
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 170351595
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
CID 170351596
[1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 170351674
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 170351677
6-Chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 170351683
6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 170351698

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate (CID 170351696) is [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate is COC1CCN(c2nn(OC(=O)C(F)(F)F)c3cc(Cl)ncc23)CC1.
What is the InChIKey of [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is XCIPUWGNCAYWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O3/c1-24-8-2-4-21(5-3-8)12-9-7-19-11(15)6-10(9)22(20-12)25-13(23)14(16,17)18/h6-8H,2-5H2,1H3.
What are the key properties of [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate?
[6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 378.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(4-methoxypiperidin-1-yl)pyrazolo[4,3-c]pyridin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 170351696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).