2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

C17H18FN7O — CID 126855717

IUPAC2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H18FN7O/c18-14-10-19-17(20-11-14)23-8-4-13(5-9-23)12-25-16(26)3-2-15(22-25)24-7-1-6-21-24/h1-3,6-7,10-11,13H,4-5,8-9,12H2
InChIKeySSYNCAZKRFEDKG-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.27
Rot. Bonds4

About 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126855717) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126855717
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H18FN7O/c18-14-10-19-17(20-11-14)23-8-4-13(5-9-23)12-25-16(26)3-2-15(22-25)24-7-1-6-21-24/h1-3,6-7,10-11,13H,4-5,8-9,12H2
InChIKeySSYNCAZKRFEDKG-UHFFFAOYSA-N
XLogP1.27
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one 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 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126855717) is 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is O=c1ccc(-n2cccn2)nn1CC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is SSYNCAZKRFEDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c18-14-10-19-17(20-11-14)23-8-4-13(5-9-23)12-25-16(26)3-2-15(22-25)24-7-1-6-21-24/h1-3,6-7,10-11,13H,4-5,8-9,12H2.
What are the key properties of 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 355.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126855717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).