4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine

C22H19FN4O2 — CID 130442551

IUPAC4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncnc1N1CC(F)C1
InChIInChI=1S/C22H19FN4O2/c1-13-9-16(29-22-18-6-8-28-19(18)5-7-24-22)3-4-17(13)20-14(2)25-12-26-21(20)27-10-15(23)11-27/h3-9,12,15H,10-11H2,1-2H3
InChIKeyWBJMDVGUJNWNKK-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.85
Rot. Bonds4

About 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine

4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine (PubChem CID 130442551) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
PubChem CID130442551
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncnc1N1CC(F)C1
InChIInChI=1S/C22H19FN4O2/c1-13-9-16(29-22-18-6-8-28-19(18)5-7-24-22)3-4-17(13)20-14(2)25-12-26-21(20)27-10-15(23)11-27/h3-9,12,15H,10-11H2,1-2H3
InChIKeyWBJMDVGUJNWNKK-UHFFFAOYSA-N
XLogP4.85
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine with MolForge

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Related Compounds

1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
CID 130442517
5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine
CID 130459243
4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
4-[4-(2-cyclopropyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442503
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 130442520
3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine
CID 90134293
6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methyl-1H-pyrazin-2-one
CID 130442523
4-[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyrimidin-5-yl]-3-methylphenol
CID 130459327
5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 118448880
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile
CID 90142202
4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]furo[3,2-c]pyridine
CID 75201959
8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine
CID 118468690

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine (CID 130442551) is 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine is Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncnc1N1CC(F)C1.
What is the InChIKey of 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine?
The InChIKey is WBJMDVGUJNWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-13-9-16(29-22-18-6-8-28-19(18)5-7-24-22)3-4-17(13)20-14(2)25-12-26-21(20)27-10-15(23)11-27/h3-9,12,15H,10-11H2,1-2H3.
What are the key properties of 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine?
4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine has a molecular weight of 390.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 130442551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).