2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

C21H25FN4O2 — CID 135308384

IUPAC2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CCCCCCCCCF)c3cn2)c1
InChIInChI=1S/C21H25FN4O2/c22-9-6-4-2-1-3-5-7-11-26-20-15-24-19(13-17(20)14-25-26)18-12-16(21(27)28)8-10-23-18/h8,10,12-15H,1-7,9,11H2,(H,27,28)
InChIKeyYPPQMXWFFHHOBS-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.89
Rot. Bonds11

About 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (PubChem CID 135308384) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
PubChem CID135308384
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CCCCCCCCCF)c3cn2)c1
InChIInChI=1S/C21H25FN4O2/c22-9-6-4-2-1-3-5-7-11-26-20-15-24-19(13-17(20)14-25-26)18-12-16(21(27)28)8-10-23-18/h8,10,12-15H,1-7,9,11H2,(H,27,28)
InChIKeyYPPQMXWFFHHOBS-UHFFFAOYSA-N
XLogP4.89
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.89
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 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (CID 135308384) is 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cnn(CCCCCCCCCF)c3cn2)c1.
What is the InChIKey of 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The InChIKey is YPPQMXWFFHHOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-9-6-4-2-1-3-5-7-11-26-20-15-24-19(13-17(20)14-25-26)18-12-16(21(27)28)8-10-23-18/h8,10,12-15H,1-7,9,11H2,(H,27,28).
What are the key properties of 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9-fluorononyl)pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135308384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).