5-(5-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 78054551

IUPAC5-(5-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
SMILESFc1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)c1
InChIInChI=1S/C20H26FN7/c21-14-8-13(10-23-11-14)17-9-15-18(12-24-17)26-27-20(15)16-2-1-3-19(25-16)28-6-4-22-5-7-28/h1-3,8,10-11,15,17-18,20,22,24,26-27H,4-7,9,12H2
InChIKeyCATQBJWBTDDOHN-UHFFFAOYSA-N
MW383.48 g/mol
LogP0.89
Rot. Bonds3

About 5-(5-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-(5-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 78054551) has the molecular formula C20H26FN7 and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-(5-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-(5-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 CID78054551
Molecular FormulaC20H26FN7
Molecular Weight383.48 g/mol
Exact Mass383.22
IUPAC Name5-(5-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
SMILESFc1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)c1
InChIInChI=1S/C20H26FN7/c21-14-8-13(10-23-11-14)17-9-15-18(12-24-17)26-27-20(15)16-2-1-3-19(25-16)28-6-4-22-5-7-28/h1-3,8,10-11,15,17-18,20,22,24,26-27H,4-7,9,12H2
InChIKeyCATQBJWBTDDOHN-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

Analyze 5-(5-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-(5-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-(5-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 78054551) is 5-(5-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-(5-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-(5-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 Fc1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)c1.
What is the InChIKey of 5-(5-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 CATQBJWBTDDOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7/c21-14-8-13(10-23-11-14)17-9-15-18(12-24-17)26-27-20(15)16-2-1-3-19(25-16)28-6-4-22-5-7-28/h1-3,8,10-11,15,17-18,20,22,24,26-27H,4-7,9,12H2.
What are the key properties of 5-(5-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-(5-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-(5-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 78054551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).