[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol

C21H20F2N4O — CID 89420546

IUPAC[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1
InChIInChI=1S/C21H20F2N4O/c22-16-10-21(11-16,20-17(23)5-2-8-24-20)13-25-19-7-6-18(26-27-19)15-4-1-3-14(9-15)12-28/h1-9,16,28H,10-13H2,(H,25,27)
InChIKeyVCASBYZXJCTEDN-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.65
Rot. Bonds6

About [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol

[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol (PubChem CID 89420546) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol
PubChem CID89420546
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1
InChIInChI=1S/C21H20F2N4O/c22-16-10-21(11-16,20-17(23)5-2-8-24-20)13-25-19-7-6-18(26-27-19)15-4-1-3-14(9-15)12-28/h1-9,16,28H,10-13H2,(H,25,27)
InChIKeyVCASBYZXJCTEDN-UHFFFAOYSA-N
XLogP3.65
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol 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 [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol (CID 89420546) is [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol is OCc1cccc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)c1.
What is the InChIKey of [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol?
The InChIKey is VCASBYZXJCTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-16-10-21(11-16,20-17(23)5-2-8-24-20)13-25-19-7-6-18(26-27-19)15-4-1-3-14(9-15)12-28/h1-9,16,28H,10-13H2,(H,25,27).
What are the key properties of [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol?
[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol has a molecular weight of 382.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 89420546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).