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

C17H20FN5O — CID 126865508

IUPAC6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2ncncc2F)CC1
InChIInChI=1S/C17H20FN5O/c18-14-9-19-11-20-17(14)22-7-5-12(6-8-22)10-23-16(24)4-3-15(21-23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2
InChIKeyCDPWLOTZMFQAPB-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.97
Rot. Bonds4

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

6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865508) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865508
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2ncncc2F)CC1
InChIInChI=1S/C17H20FN5O/c18-14-9-19-11-20-17(14)22-7-5-12(6-8-22)10-23-16(24)4-3-15(21-23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2
InChIKeyCDPWLOTZMFQAPB-UHFFFAOYSA-N
XLogP1.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-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 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865508) is 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(c2ncncc2F)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is CDPWLOTZMFQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-14-9-19-11-20-17(14)22-7-5-12(6-8-22)10-23-16(24)4-3-15(21-23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2.
What are the key properties of 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 329.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).