5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine

C13H17N3O2 — CID 103557135

IUPAC5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CC3(OC)CCC3)nc2n1
InChIInChI=1S/C13H17N3O2/c1-17-11-5-4-9-12(16-11)15-10(14-9)8-13(18-2)6-3-7-13/h4-5H,3,6-8H2,1-2H3,(H,14,15,16)
InChIKeyFIIMRINDSSOJTB-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.08
Rot. Bonds4

About 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine

5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 103557135) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID103557135
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CC3(OC)CCC3)nc2n1
InChIInChI=1S/C13H17N3O2/c1-17-11-5-4-9-12(16-11)15-10(14-9)8-13(18-2)6-3-7-13/h4-5H,3,6-8H2,1-2H3,(H,14,15,16)
InChIKeyFIIMRINDSSOJTB-UHFFFAOYSA-N
XLogP2.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine (CID 103557135) is 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(CC3(OC)CCC3)nc2n1.
What is the InChIKey of 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is FIIMRINDSSOJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-5-4-9-12(16-11)15-10(14-9)8-13(18-2)6-3-7-13/h4-5H,3,6-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 247.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103557135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).