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

C23H22N4O5 — CID 137404979

IUPAC[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(CO)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C23H22N4O5/c1-29-18-6-14(10-27-13-26-17-5-15(11-28)8-25-23(17)27)7-19-22(18)32-20(12-31-19)16-3-4-21(30-2)24-9-16/h3-9,13,20,28H,10-12H2,1-2H3
InChIKeyOGNWMVLUBSGOPR-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.90
Rot. Bonds6

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

[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol (PubChem CID 137404979) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol
PubChem CID137404979
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(CO)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C23H22N4O5/c1-29-18-6-14(10-27-13-26-17-5-15(11-28)8-25-23(17)27)7-19-22(18)32-20(12-31-19)16-3-4-21(30-2)24-9-16/h3-9,13,20,28H,10-12H2,1-2H3
InChIKeyOGNWMVLUBSGOPR-UHFFFAOYSA-N
XLogP2.90
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol?
The IUPAC name of [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol (CID 137404979) is [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol.
What is the SMILES notation for [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol?
The canonical SMILES for [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol is COc1ccc(C2COc3cc(Cn4cnc5cc(CO)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol?
The InChIKey is OGNWMVLUBSGOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-29-18-6-14(10-27-13-26-17-5-15(11-28)8-25-23(17)27)7-19-22(18)32-20(12-31-19)16-3-4-21(30-2)24-9-16/h3-9,13,20,28H,10-12H2,1-2H3.
What are the key properties of [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol?
[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol has a molecular weight of 434.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]methanol is sourced from PubChem (CID 137404979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).