4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine

C21H16N4O2 — CID 90134304

IUPAC4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-n1c(C)nc2cnccc21
InChIInChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3
InChIKeyVNGSAFKJOYCSHN-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.97
Rot. Bonds3

About 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine

4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine (PubChem CID 90134304) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine
PubChem CID90134304
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-n1c(C)nc2cnccc21
InChIInChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3
InChIKeyVNGSAFKJOYCSHN-UHFFFAOYSA-N
XLogP4.97
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine (CID 90134304) is 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine is Cc1cc(Oc2nccc3occc23)ccc1-n1c(C)nc2cnccc21.
What is the InChIKey of 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is VNGSAFKJOYCSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-13-11-15(27-21-16-7-10-26-20(16)6-9-23-21)3-4-18(13)25-14(2)24-17-12-22-8-5-19(17)25/h3-12H,1-2H3.
What are the key properties of 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine?
4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 356.39 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 90134304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).