6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one

C20H19F2N5O2 — CID 171034413

IUPAC6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC(F)F)nc2)nn1CC1NNCC1c1ccccc1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)29-18-8-6-14(10-23-18)16-7-9-19(28)27(26-16)12-17-15(11-24-25-17)13-4-2-1-3-5-13/h1-10,15,17,20,24-25H,11-12H2
InChIKeyAYCSBJVZBUWNRN-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.17
Rot. Bonds6

About 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one

6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one (PubChem CID 171034413) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one
PubChem CID171034413
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC(F)F)nc2)nn1CC1NNCC1c1ccccc1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)29-18-8-6-14(10-23-18)16-7-9-19(28)27(26-16)12-17-15(11-24-25-17)13-4-2-1-3-5-13/h1-10,15,17,20,24-25H,11-12H2
InChIKeyAYCSBJVZBUWNRN-UHFFFAOYSA-N
XLogP2.17
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-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-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one (CID 171034413) is 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one is O=c1ccc(-c2ccc(OC(F)F)nc2)nn1CC1NNCC1c1ccccc1.
What is the InChIKey of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one?
The InChIKey is AYCSBJVZBUWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-20(22)29-18-8-6-14(10-23-18)16-7-9-19(28)27(26-16)12-17-15(11-24-25-17)13-4-2-1-3-5-13/h1-10,15,17,20,24-25H,11-12H2.
What are the key properties of 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one?
6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one has a molecular weight of 399.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(4-phenylpyrazolidin-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 171034413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).