7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine

C13H9ClN6 — CID 126496983

IUPAC7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc(Cc2nc3ncccc3[nH]2)nc2nc[nH]c12
InChIInChI=1S/C13H9ClN6/c14-8-4-7(18-13-11(8)16-6-17-13)5-10-19-9-2-1-3-15-12(9)20-10/h1-4,6H,5H2,(H,15,19,20)(H,16,17,18)
InChIKeyIXZLOYMHLBHOQF-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.47
Rot. Bonds2

About 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine

7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 126496983) has the molecular formula C13H9ClN6 and a molecular weight of 284.71 g/mol. Its IUPAC name is 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID126496983
Molecular FormulaC13H9ClN6
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1cc(Cc2nc3ncccc3[nH]2)nc2nc[nH]c12
InChIInChI=1S/C13H9ClN6/c14-8-4-7(18-13-11(8)16-6-17-13)5-10-19-9-2-1-3-15-12(9)20-10/h1-4,6H,5H2,(H,15,19,20)(H,16,17,18)
InChIKeyIXZLOYMHLBHOQF-UHFFFAOYSA-N
XLogP2.47
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine (CID 126496983) is 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine is Clc1cc(Cc2nc3ncccc3[nH]2)nc2nc[nH]c12.
What is the InChIKey of 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is IXZLOYMHLBHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6/c14-8-4-7(18-13-11(8)16-6-17-13)5-10-19-9-2-1-3-15-12(9)20-10/h1-4,6H,5H2,(H,15,19,20)(H,16,17,18).
What are the key properties of 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine?
7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 284.71 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 126496983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).