1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol

C22H20N4O3 — CID 130442517

IUPAC1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncnc1N1CC(O)C1
InChIInChI=1S/C22H20N4O3/c1-13-9-16(29-22-18-6-8-28-19(18)5-7-23-22)3-4-17(13)20-14(2)24-12-25-21(20)26-10-15(27)11-26/h3-9,12,15,27H,10-11H2,1-2H3
InChIKeyAZUUHONKDUNMPL-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.87
Rot. Bonds4

About 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol

1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol (PubChem CID 130442517) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
PubChem CID130442517
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncnc1N1CC(O)C1
InChIInChI=1S/C22H20N4O3/c1-13-9-16(29-22-18-6-8-28-19(18)5-7-23-22)3-4-17(13)20-14(2)24-12-25-21(20)26-10-15(27)11-26/h3-9,12,15,27H,10-11H2,1-2H3
InChIKeyAZUUHONKDUNMPL-UHFFFAOYSA-N
XLogP3.87
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol (CID 130442517) is 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol is Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncnc1N1CC(O)C1.
What is the InChIKey of 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol?
The InChIKey is AZUUHONKDUNMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-9-16(29-22-18-6-8-28-19(18)5-7-23-22)3-4-17(13)20-14(2)24-12-25-21(20)26-10-15(27)11-26/h3-9,12,15,27H,10-11H2,1-2H3.
What are the key properties of 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol?
1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol has a molecular weight of 388.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 130442517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).