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

C24H22F2N4O4 — CID 137405246

IUPAC6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOCc1ccc(C2COc3cc(Cn4cnc5cc(C(F)F)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C24H22F2N4O4/c1-31-11-17-4-3-15(8-27-17)21-12-33-20-6-14(5-19(32-2)22(20)34-21)10-30-13-29-18-7-16(23(25)26)9-28-24(18)30/h3-9,13,21,23H,10-12H2,1-2H3
InChIKeyVBYPAIDIVIPRNY-UHFFFAOYSA-N
MW468.46 g/mol
LogP4.48
Rot. Bonds7

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

6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 137405246) has the molecular formula C24H22F2N4O4 and a molecular weight of 468.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID137405246
Molecular FormulaC24H22F2N4O4
Molecular Weight468.46 g/mol
Exact Mass468.16
IUPAC Name6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOCc1ccc(C2COc3cc(Cn4cnc5cc(C(F)F)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C24H22F2N4O4/c1-31-11-17-4-3-15(8-27-17)21-12-33-20-6-14(5-19(32-2)22(20)34-21)10-30-13-29-18-7-16(23(25)26)9-28-24(18)30/h3-9,13,21,23H,10-12H2,1-2H3
InChIKeyVBYPAIDIVIPRNY-UHFFFAOYSA-N
XLogP4.48
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (CID 137405246) is 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is COCc1ccc(C2COc3cc(Cn4cnc5cc(C(F)F)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is VBYPAIDIVIPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4/c1-31-11-17-4-3-15(8-27-17)21-12-33-20-6-14(5-19(32-2)22(20)34-21)10-30-13-29-18-7-16(23(25)26)9-28-24(18)30/h3-9,13,21,23H,10-12H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 468.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[5-methoxy-3-[6-(methoxymethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 137405246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).