4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine

C25H27N5O4 — CID 118009791

IUPAC4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCOCC5)cnc43)cc2OC)cn1
InChIInChI=1S/C25H27N5O4/c1-31-23-11-18(3-5-22(23)34-16-19-4-6-24(32-2)26-13-19)15-30-17-28-21-12-20(14-27-25(21)30)29-7-9-33-10-8-29/h3-6,11-14,17H,7-10,15-16H2,1-2H3
InChIKeyVOJMTTDUYUMNNZ-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.31
Rot. Bonds8

About 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine

4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (PubChem CID 118009791) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
PubChem CID118009791
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCOc1ccc(COc2ccc(Cn3cnc4cc(N5CCOCC5)cnc43)cc2OC)cn1
InChIInChI=1S/C25H27N5O4/c1-31-23-11-18(3-5-22(23)34-16-19-4-6-24(32-2)26-13-19)15-30-17-28-21-12-20(14-27-25(21)30)29-7-9-33-10-8-29/h3-6,11-14,17H,7-10,15-16H2,1-2H3
InChIKeyVOJMTTDUYUMNNZ-UHFFFAOYSA-N
XLogP3.31
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (CID 118009791) is 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is COc1ccc(COc2ccc(Cn3cnc4cc(N5CCOCC5)cnc43)cc2OC)cn1.
What is the InChIKey of 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The InChIKey is VOJMTTDUYUMNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-31-23-11-18(3-5-22(23)34-16-19-4-6-24(32-2)26-13-19)15-30-17-28-21-12-20(14-27-25(21)30)29-7-9-33-10-8-29/h3-6,11-14,17H,7-10,15-16H2,1-2H3.
What are the key properties of 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine has a molecular weight of 461.52 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 118009791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).