6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

C18H22N4O — CID 56669739

IUPAC6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1
InChIInChI=1S/C18H22N4O/c1-3-4-5-13-10-16-18(20-12-13)22-17(21-16)7-6-14-11-15(23-2)8-9-19-14/h8-12H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyXKSZROQVGSPHQO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.49
Rot. Bonds7

About 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 56669739) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID56669739
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1
InChIInChI=1S/C18H22N4O/c1-3-4-5-13-10-16-18(20-12-13)22-17(21-16)7-6-14-11-15(23-2)8-9-19-14/h8-12H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyXKSZROQVGSPHQO-UHFFFAOYSA-N
XLogP3.49
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 56669739) is 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is CCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1.
What is the InChIKey of 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is XKSZROQVGSPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-4-5-13-10-16-18(20-12-13)22-17(21-16)7-6-14-11-15(23-2)8-9-19-14/h8-12H,3-7H2,1-2H3,(H,20,21,22).
What are the key properties of 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 310.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 56669739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).