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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Related Compounds

2-[3-propan-2-yloxy-5-(2-pyridin-2-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 59243058
methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 157077401
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenol;3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenol
CID 158074783
4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]methyl]aniline
CID 67489922
2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
CID 59243231
4-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]benzonitrile
CID 15949489
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
2-(3-propan-2-yloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 13304825
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58279088
6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 69209627
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690240
3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide
CID 15949492

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).