3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine

C16H12FN5 — CID 130279443

IUPAC3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cc(C2=NNC3C=NC(c4cccnc4)=CC23)ccn1
InChIInChI=1S/C16H12FN5/c17-15-6-10(3-5-19-15)16-12-7-13(11-2-1-4-18-8-11)20-9-14(12)21-22-16/h1-9,12,14,21H
InChIKeyYAJVDIYIUIWPEZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.03
Rot. Bonds2

About 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine

3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 130279443) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID130279443
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC Name3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cc(C2=NNC3C=NC(c4cccnc4)=CC23)ccn1
InChIInChI=1S/C16H12FN5/c17-15-6-10(3-5-19-15)16-12-7-13(11-2-1-4-18-8-11)20-9-14(12)21-22-16/h1-9,12,14,21H
InChIKeyYAJVDIYIUIWPEZ-UHFFFAOYSA-N
XLogP2.03
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine (CID 130279443) is 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine is Fc1cc(C2=NNC3C=NC(c4cccnc4)=CC23)ccn1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is YAJVDIYIUIWPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c17-15-6-10(3-5-19-15)16-12-7-13(11-2-1-4-18-8-11)20-9-14(12)21-22-16/h1-9,12,14,21H.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine?
3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 293.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-5-pyridin-3-yl-3a,7a-dihydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 130279443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).