3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine

C23H20F2N4O5 — CID 137404993

IUPAC3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine
SMILESCOc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1ccc(OC(F)F)nc1)O2
InChIInChI=1S/C23H20F2N4O5/c1-30-15-7-16-22(27-9-15)29(12-28-16)10-13-5-17(31-2)21-18(6-13)32-11-19(33-21)14-3-4-20(26-8-14)34-23(24)25/h3-9,12,19,23H,10-11H2,1-2H3
InChIKeyLHAUZCUFIUURIN-UHFFFAOYSA-N
MW470.43 g/mol
LogP4.01
Rot. Bonds7

About 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine

3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine (PubChem CID 137404993) has the molecular formula C23H20F2N4O5 and a molecular weight of 470.43 g/mol. Its IUPAC name is 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine
PubChem CID137404993
Molecular FormulaC23H20F2N4O5
Molecular Weight470.43 g/mol
Exact Mass470.14
IUPAC Name3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine
SMILESCOc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1ccc(OC(F)F)nc1)O2
InChIInChI=1S/C23H20F2N4O5/c1-30-15-7-16-22(27-9-15)29(12-28-16)10-13-5-17(31-2)21-18(6-13)32-11-19(33-21)14-3-4-20(26-8-14)34-23(24)25/h3-9,12,19,23H,10-11H2,1-2H3
InChIKeyLHAUZCUFIUURIN-UHFFFAOYSA-N
XLogP4.01
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine (CID 137404993) is 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine is COc1cnc2c(c1)ncn2Cc1cc(OC)c2c(c1)OCC(c1ccc(OC(F)F)nc1)O2.
What is the InChIKey of 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine?
The InChIKey is LHAUZCUFIUURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O5/c1-30-15-7-16-22(27-9-15)29(12-28-16)10-13-5-17(31-2)21-18(6-13)32-11-19(33-21)14-3-4-20(26-8-14)34-23(24)25/h3-9,12,19,23H,10-11H2,1-2H3.
What are the key properties of 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine?
3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine has a molecular weight of 470.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[6-(difluoromethoxy)-3-pyridinyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]-6-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 137404993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).