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

C25H25N5O4 — CID 137405179

IUPAC4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine
SMILESCOc1cc(Cn2cnc3cccnc32)cc2c1OC(c1ccc(N3CCOCC3)nc1)CO2
InChIInChI=1S/C25H25N5O4/c1-31-20-11-17(14-30-16-28-19-3-2-6-26-25(19)30)12-21-24(20)34-22(15-33-21)18-4-5-23(27-13-18)29-7-9-32-10-8-29/h2-6,11-13,16,22H,7-10,14-15H2,1H3
InChIKeyJYMNJQXTXZIUQE-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.23
Rot. Bonds5

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

4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine (PubChem CID 137405179) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine
PubChem CID137405179
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine
SMILESCOc1cc(Cn2cnc3cccnc32)cc2c1OC(c1ccc(N3CCOCC3)nc1)CO2
InChIInChI=1S/C25H25N5O4/c1-31-20-11-17(14-30-16-28-19-3-2-6-26-25(19)30)12-21-24(20)34-22(15-33-21)18-4-5-23(27-13-18)29-7-9-32-10-8-29/h2-6,11-13,16,22H,7-10,14-15H2,1H3
InChIKeyJYMNJQXTXZIUQE-UHFFFAOYSA-N
XLogP3.23
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine (CID 137405179) is 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine is COc1cc(Cn2cnc3cccnc32)cc2c1OC(c1ccc(N3CCOCC3)nc1)CO2.
What is the InChIKey of 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is JYMNJQXTXZIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-31-20-11-17(14-30-16-28-19-3-2-6-26-25(19)30)12-21-24(20)34-22(15-33-21)18-4-5-23(27-13-18)29-7-9-32-10-8-29/h2-6,11-13,16,22H,7-10,14-15H2,1H3.
What are the key properties of 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine?
4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 459.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[7-(imidazo[4,5-b]pyridin-3-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 137405179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).