6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine

C14H19BrN4 — CID 82151054

IUPAC6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2cc(Br)cnc2n1CC1CCNCC1
InChIInChI=1S/C14H19BrN4/c1-2-13-18-12-7-11(15)8-17-14(12)19(13)9-10-3-5-16-6-4-10/h7-8,10,16H,2-6,9H2,1H3
InChIKeyQFOLTVCFWQAQQY-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.76
Rot. Bonds3

About 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine

6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 82151054) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID82151054
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2cc(Br)cnc2n1CC1CCNCC1
InChIInChI=1S/C14H19BrN4/c1-2-13-18-12-7-11(15)8-17-14(12)19(13)9-10-3-5-16-6-4-10/h7-8,10,16H,2-6,9H2,1H3
InChIKeyQFOLTVCFWQAQQY-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (CID 82151054) is 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is CCc1nc2cc(Br)cnc2n1CC1CCNCC1.
What is the InChIKey of 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QFOLTVCFWQAQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-2-13-18-12-7-11(15)8-17-14(12)19(13)9-10-3-5-16-6-4-10/h7-8,10,16H,2-6,9H2,1H3.
What are the key properties of 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 323.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 82151054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).