3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine

C21H18FN5 — CID 146316110

IUPAC3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESFC1CN(Cc2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cc2)C1
InChIInChI=1S/C21H18FN5/c22-18-13-26(14-18)12-15-1-3-17(4-2-15)20-11-24-21-6-5-19(25-27(20)21)16-7-9-23-10-8-16/h1-11,18H,12-14H2
InChIKeyUKDXQLXTOVQEMW-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.61
Rot. Bonds4

About 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine

3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 146316110) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID146316110
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC Name3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESFC1CN(Cc2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cc2)C1
InChIInChI=1S/C21H18FN5/c22-18-13-26(14-18)12-15-1-3-17(4-2-15)20-11-24-21-6-5-19(25-27(20)21)16-7-9-23-10-8-16/h1-11,18H,12-14H2
InChIKeyUKDXQLXTOVQEMW-UHFFFAOYSA-N
XLogP3.61
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 146316103
4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine
CID 146315993
4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
CID 90670266
3-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 146316112
[4-(6-phenylimidazo[1,2-b]pyridazin-3-yl)phenyl]methanol
CID 126672911
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146315974
3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
CID 126672883
4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one
CID 146338701
1-[(4-imidazo[1,2-b]pyridazin-3-ylphenyl)methyl]pyrrolidin-3-ol
CID 170511377
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
[4-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126672864
N-(4-fluoro-1-adamantyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 91000782

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 146316110) is 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine is FC1CN(Cc2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cc2)C1.
What is the InChIKey of 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is UKDXQLXTOVQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c22-18-13-26(14-18)12-15-1-3-17(4-2-15)20-11-24-21-6-5-19(25-27(20)21)16-7-9-23-10-8-16/h1-11,18H,12-14H2.
What are the key properties of 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 359.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 146316110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).