6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H23FN4O2 — CID 9360763

IUPAC6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCOc3ccccc3F)cc(C3CC3)nc21
InChIInChI=1S/C21H23FN4O2/c1-13(2)26-20-16(12-24-26)15(11-18(25-20)14-7-8-14)21(27)23-9-10-28-19-6-4-3-5-17(19)22/h3-6,11-14H,7-10H2,1-2H3,(H,23,27)
InChIKeyZWOWYCFYSHMUQK-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.84
Rot. Bonds7

About 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9360763) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9360763
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCCOc3ccccc3F)cc(C3CC3)nc21
InChIInChI=1S/C21H23FN4O2/c1-13(2)26-20-16(12-24-26)15(11-18(25-20)14-7-8-14)21(27)23-9-10-28-19-6-4-3-5-17(19)22/h3-6,11-14H,7-10H2,1-2H3,(H,23,27)
InChIKeyZWOWYCFYSHMUQK-UHFFFAOYSA-N
XLogP3.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9360763) is 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCCOc3ccccc3F)cc(C3CC3)nc21.
What is the InChIKey of 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZWOWYCFYSHMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13(2)26-20-16(12-24-26)15(11-18(25-20)14-7-8-14)21(27)23-9-10-28-19-6-4-3-5-17(19)22/h3-6,11-14H,7-10H2,1-2H3,(H,23,27).
What are the key properties of 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(2-fluorophenoxy)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9360763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).