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

C25H25N5O5 — CID 137404996

IUPAC1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(N6CC(O)C6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C25H25N5O5/c1-32-20-5-15(6-21-24(20)35-22(13-34-21)16-3-4-23(33-2)26-8-16)10-30-14-28-19-7-17(9-27-25(19)30)29-11-18(31)12-29/h3-9,14,18,22,31H,10-13H2,1-2H3
InChIKeyGSVJMHUMCUGNQJ-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.59
Rot. Bonds6

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

1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol (PubChem CID 137404996) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol
PubChem CID137404996
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(N6CC(O)C6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C25H25N5O5/c1-32-20-5-15(6-21-24(20)35-22(13-34-21)16-3-4-23(33-2)26-8-16)10-30-14-28-19-7-17(9-27-25(19)30)29-11-18(31)12-29/h3-9,14,18,22,31H,10-13H2,1-2H3
InChIKeyGSVJMHUMCUGNQJ-UHFFFAOYSA-N
XLogP2.59
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol?
The IUPAC name of 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol (CID 137404996) is 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol.
What is the SMILES notation for 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol?
The canonical SMILES for 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol is COc1ccc(C2COc3cc(Cn4cnc5cc(N6CC(O)C6)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol?
The InChIKey is GSVJMHUMCUGNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-32-20-5-15(6-21-24(20)35-22(13-34-21)16-3-4-23(33-2)26-8-16)10-30-14-28-19-7-17(9-27-25(19)30)29-11-18(31)12-29/h3-9,14,18,22,31H,10-13H2,1-2H3.
What are the key properties of 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol?
1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol has a molecular weight of 475.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]azetidin-3-ol is sourced from PubChem (CID 137404996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).