5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine

C12H16N4O — CID 65483260

IUPAC5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3CCCNC3)nc2n1
InChIInChI=1S/C12H16N4O/c1-17-10-5-4-9-12(15-10)16-11(14-9)8-3-2-6-13-7-8/h4-5,8,13H,2-3,6-7H2,1H3,(H,14,15,16)
InChIKeyTYBVLTATOAXUKC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.43
Rot. Bonds2

About 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine

5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 65483260) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID65483260
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3CCCNC3)nc2n1
InChIInChI=1S/C12H16N4O/c1-17-10-5-4-9-12(15-10)16-11(14-9)8-3-2-6-13-7-8/h4-5,8,13H,2-3,6-7H2,1H3,(H,14,15,16)
InChIKeyTYBVLTATOAXUKC-UHFFFAOYSA-N
XLogP1.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.43
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-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine (CID 65483260) is 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(C3CCCNC3)nc2n1.
What is the InChIKey of 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is TYBVLTATOAXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-10-5-4-9-12(15-10)16-11(14-9)8-3-2-6-13-7-8/h4-5,8,13H,2-3,6-7H2,1H3,(H,14,15,16).
What are the key properties of 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 232.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65483260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).