5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C20H26FN7 — CID 78054707

IUPAC5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cn1
InChIInChI=1S/C20H26FN7/c21-18-5-4-13(11-24-18)16-10-14-17(12-23-16)26-27-20(14)15-2-1-3-19(25-15)28-8-6-22-7-9-28/h1-5,11,14,16-17,20,22-23,26-27H,6-10,12H2
InChIKeyRTLHJZIMLYMZAO-UHFFFAOYSA-N
MW383.48 g/mol
LogP0.89
Rot. Bonds3

About 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 78054707) has the molecular formula C20H26FN7 and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID78054707
Molecular FormulaC20H26FN7
Molecular Weight383.48 g/mol
Exact Mass383.22
IUPAC Name5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cn1
InChIInChI=1S/C20H26FN7/c21-18-5-4-13(11-24-18)16-10-14-17(12-23-16)26-27-20(14)15-2-1-3-19(25-15)28-8-6-22-7-9-28/h1-5,11,14,16-17,20,22-23,26-27H,6-10,12H2
InChIKeyRTLHJZIMLYMZAO-UHFFFAOYSA-N
XLogP0.89
TPSA77.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 78054707) is 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is Fc1ccc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cn1.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is RTLHJZIMLYMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7/c21-18-5-4-13(11-24-18)16-10-14-17(12-23-16)26-27-20(14)15-2-1-3-19(25-15)28-8-6-22-7-9-28/h1-5,11,14,16-17,20,22-23,26-27H,6-10,12H2.
What are the key properties of 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 383.48 g/mol, XLogP of 0.89, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 78054707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).