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

C12H15BrN4 — CID 56793487

IUPAC6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(CN3CCCCC3)[nH]c2c1
InChIInChI=1S/C12H15BrN4/c13-9-6-10-12(14-7-9)16-11(15-10)8-17-4-2-1-3-5-17/h6-7H,1-5,8H2,(H,14,15,16)
InChIKeyLTPGGHLNTSUPIP-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.71
Rot. Bonds2

About 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 56793487) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID56793487
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(CN3CCCCC3)[nH]c2c1
InChIInChI=1S/C12H15BrN4/c13-9-6-10-12(14-7-9)16-11(15-10)8-17-4-2-1-3-5-17/h6-7H,1-5,8H2,(H,14,15,16)
InChIKeyLTPGGHLNTSUPIP-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (CID 56793487) is 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(CN3CCCCC3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LTPGGHLNTSUPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-9-6-10-12(14-7-9)16-11(15-10)8-17-4-2-1-3-5-17/h6-7H,1-5,8H2,(H,14,15,16).
What are the key properties of 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 295.18 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 56793487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).