1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine

C18H16F3N3O — CID 155386051

IUPAC1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
SMILESCOC(Cn1ncc2ncc(-c3cc(F)c(F)c(F)c3)cc21)C1CC1
InChIInChI=1S/C18H16F3N3O/c1-25-17(10-2-3-10)9-24-16-6-12(7-22-15(16)8-23-24)11-4-13(19)18(21)14(20)5-11/h4-8,10,17H,2-3,9H2,1H3
InChIKeyRDMKAVGODKFRCD-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine

1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine (PubChem CID 155386051) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
PubChem CID155386051
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
SMILESCOC(Cn1ncc2ncc(-c3cc(F)c(F)c(F)c3)cc21)C1CC1
InChIInChI=1S/C18H16F3N3O/c1-25-17(10-2-3-10)9-24-16-6-12(7-22-15(16)8-23-24)11-4-13(19)18(21)14(20)5-11/h4-8,10,17H,2-3,9H2,1H3
InChIKeyRDMKAVGODKFRCD-UHFFFAOYSA-N
XLogP3.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine (CID 155386051) is 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine is COC(Cn1ncc2ncc(-c3cc(F)c(F)c(F)c3)cc21)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The InChIKey is RDMKAVGODKFRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-25-17(10-2-3-10)9-24-16-6-12(7-22-15(16)8-23-24)11-4-13(19)18(21)14(20)5-11/h4-8,10,17H,2-3,9H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine has a molecular weight of 347.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155386051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).