4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid

C13H13ClF3N3O3 — CID 175944898

IUPAC4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(C(F)(F)F)nn2CCCC(=O)O
InChIInChI=1S/C13H13ClF3N3O3/c1-2-23-12-10-7(6-8(14)18-12)20(5-3-4-9(21)22)19-11(10)13(15,16)17/h6H,2-5H2,1H3,(H,21,22)
InChIKeyOMWZGWSGDQDKLI-UHFFFAOYSA-N
MW351.71 g/mol
LogP3.37
Rot. Bonds6

About 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid

4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid (PubChem CID 175944898) has the molecular formula C13H13ClF3N3O3 and a molecular weight of 351.71 g/mol. Its IUPAC name is 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid
PubChem CID175944898
Molecular FormulaC13H13ClF3N3O3
Molecular Weight351.71 g/mol
Exact Mass351.06
IUPAC Name4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid
SMILESCCOc1nc(Cl)cc2c1c(C(F)(F)F)nn2CCCC(=O)O
InChIInChI=1S/C13H13ClF3N3O3/c1-2-23-12-10-7(6-8(14)18-12)20(5-3-4-9(21)22)19-11(10)13(15,16)17/h6H,2-5H2,1H3,(H,21,22)
InChIKeyOMWZGWSGDQDKLI-UHFFFAOYSA-N
XLogP3.37
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-4-ethoxy-2-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 175944886
4-(6-Chloro-3-cyclopropyl-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944887
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)acetic acid
CID 175944889
6-Chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 175944890
4-(3-Anilino-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944892
4-[3-(Benzylamino)-6-chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl]butanoic acid
CID 175944894
4-(6-Chloro-4-ethoxy-3-pyridin-4-ylpyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 175944896
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)ethanol
CID 175944899
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)ethanol
CID 175944904
2-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-2-yl)acetic acid
CID 175944909
6-Chloro-1-(oxan-4-yl)-4-propoxypyrazolo[4,3-c]pyridine
CID 175944911
4-(6-Chloro-4-ethoxypyrazolo[4,3-c]pyridin-1-yl)butanoic acid
CID 170453335

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid?
The IUPAC name of 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid (CID 175944898) is 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid.
What is the SMILES notation for 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid?
The canonical SMILES for 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid is CCOc1nc(Cl)cc2c1c(C(F)(F)F)nn2CCCC(=O)O.
What is the InChIKey of 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid?
The InChIKey is OMWZGWSGDQDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O3/c1-2-23-12-10-7(6-8(14)18-12)20(5-3-4-9(21)22)19-11(10)13(15,16)17/h6H,2-5H2,1H3,(H,21,22).
What are the key properties of 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid?
4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid has a molecular weight of 351.71 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-ethoxy-3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]butanoic acid is sourced from PubChem (CID 175944898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).