4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine

C21H26N4O3 — CID 59243024

IUPAC4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine
SMILESCC(C)Oc1cc(OCCN2CCOCC2)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C21H26N4O3/c1-15(2)28-18-13-16(20-23-19-4-3-5-22-21(19)24-20)12-17(14-18)27-11-8-25-6-9-26-10-7-25/h3-5,12-15H,6-11H2,1-2H3,(H,22,23,24)
InChIKeyQPKJHMCKTCZHOQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.12
Rot. Bonds7

About 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine

4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine (PubChem CID 59243024) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine
PubChem CID59243024
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine
SMILESCC(C)Oc1cc(OCCN2CCOCC2)cc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C21H26N4O3/c1-15(2)28-18-13-16(20-23-19-4-3-5-22-21(19)24-20)12-17(14-18)27-11-8-25-6-9-26-10-7-25/h3-5,12-15H,6-11H2,1-2H3,(H,22,23,24)
InChIKeyQPKJHMCKTCZHOQ-UHFFFAOYSA-N
XLogP3.12
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine (CID 59243024) is 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine is CC(C)Oc1cc(OCCN2CCOCC2)cc(-c2nc3ncccc3[nH]2)c1.
What is the InChIKey of 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine?
The InChIKey is QPKJHMCKTCZHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(2)28-18-13-16(20-23-19-4-3-5-22-21(19)24-20)12-17(14-18)27-11-8-25-6-9-26-10-7-25/h3-5,12-15H,6-11H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine?
4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine has a molecular weight of 382.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine is sourced from PubChem (CID 59243024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).