2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine

C19H28N4O2 — CID 159876576

IUPAC2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(C2CC23CCNCC3)nc2ncc(C(C)OC)cc21
InChIInChI=1S/C19H28N4O2/c1-13(25-3)14-10-16-17(21-12-14)22-18(23(16)8-9-24-2)15-11-19(15)4-6-20-7-5-19/h10,12-13,15,20H,4-9,11H2,1-3H3
InChIKeyNSZDKENJZWITJS-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.64
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine

2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine (PubChem CID 159876576) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine
PubChem CID159876576
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(C2CC23CCNCC3)nc2ncc(C(C)OC)cc21
InChIInChI=1S/C19H28N4O2/c1-13(25-3)14-10-16-17(21-12-14)22-18(23(16)8-9-24-2)15-11-19(15)4-6-20-7-5-19/h10,12-13,15,20H,4-9,11H2,1-3H3
InChIKeyNSZDKENJZWITJS-UHFFFAOYSA-N
XLogP2.64
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine (CID 159876576) is 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine is COCCn1c(C2CC23CCNCC3)nc2ncc(C(C)OC)cc21.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
The InChIKey is NSZDKENJZWITJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(25-3)14-10-16-17(21-12-14)22-18(23(16)8-9-24-2)15-11-19(15)4-6-20-7-5-19/h10,12-13,15,20H,4-9,11H2,1-3H3.
What are the key properties of 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine?
2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine has a molecular weight of 344.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-2-yl)-6-(1-methoxyethyl)-1-(2-methoxyethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 159876576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).