5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine

C13H18N4O — CID 79615004

IUPAC5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CC3CCNCC3)nc2n1
InChIInChI=1S/C13H18N4O/c1-18-12-3-2-10-13(17-12)16-11(15-10)8-9-4-6-14-7-5-9/h2-3,9,14H,4-8H2,1H3,(H,15,16,17)
InChIKeyPVAOKZDAXZFHPD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.51
Rot. Bonds3

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

5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 79615004) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID79615004
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CC3CCNCC3)nc2n1
InChIInChI=1S/C13H18N4O/c1-18-12-3-2-10-13(17-12)16-11(15-10)8-9-4-6-14-7-5-9/h2-3,9,14H,4-8H2,1H3,(H,15,16,17)
InChIKeyPVAOKZDAXZFHPD-UHFFFAOYSA-N
XLogP1.51
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine (CID 79615004) is 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(CC3CCNCC3)nc2n1.
What is the InChIKey of 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is PVAOKZDAXZFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-18-12-3-2-10-13(17-12)16-11(15-10)8-9-4-6-14-7-5-9/h2-3,9,14H,4-8H2,1H3,(H,15,16,17).
What are the key properties of 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 246.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79615004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).