2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol

C16H17FN6O — CID 168896414

IUPAC2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol
SMILESNc1nn(C2CCNCC2)c2cc(-c3cc(F)ccc3O)nnc12
InChIInChI=1S/C16H17FN6O/c17-9-1-2-14(24)11(7-9)12-8-13-15(21-20-12)16(18)22-23(13)10-3-5-19-6-4-10/h1-2,7-8,10,19,24H,3-6H2,(H2,18,22)
InChIKeyBCSGIZGOKVXZIP-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.84
Rot. Bonds2

About 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol

2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol (PubChem CID 168896414) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol
PubChem CID168896414
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol
SMILESNc1nn(C2CCNCC2)c2cc(-c3cc(F)ccc3O)nnc12
InChIInChI=1S/C16H17FN6O/c17-9-1-2-14(24)11(7-9)12-8-13-15(21-20-12)16(18)22-23(13)10-3-5-19-6-4-10/h1-2,7-8,10,19,24H,3-6H2,(H2,18,22)
InChIKeyBCSGIZGOKVXZIP-UHFFFAOYSA-N
XLogP1.84
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol?
The IUPAC name of 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol (CID 168896414) is 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol.
What is the SMILES notation for 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol?
The canonical SMILES for 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol is Nc1nn(C2CCNCC2)c2cc(-c3cc(F)ccc3O)nnc12.
What is the InChIKey of 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol?
The InChIKey is BCSGIZGOKVXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c17-9-1-2-14(24)11(7-9)12-8-13-15(21-20-12)16(18)22-23(13)10-3-5-19-6-4-10/h1-2,7-8,10,19,24H,3-6H2,(H2,18,22).
What are the key properties of 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol?
2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol has a molecular weight of 328.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl)-4-fluorophenol is sourced from PubChem (CID 168896414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).