3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine

C14H9ClN4 — CID 166375887

IUPAC3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine
SMILESClc1cnc2cc(-c3ccnc4[nH]ccc34)ccn12
InChIInChI=1S/C14H9ClN4/c15-12-8-18-13-7-9(3-6-19(12)13)10-1-4-16-14-11(10)2-5-17-14/h1-8H,(H,16,17)
InChIKeyXDJUXVAFYGTMPK-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.53
Rot. Bonds1

About 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine

3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine (PubChem CID 166375887) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine
PubChem CID166375887
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine
SMILESClc1cnc2cc(-c3ccnc4[nH]ccc34)ccn12
InChIInChI=1S/C14H9ClN4/c15-12-8-18-13-7-9(3-6-19(12)13)10-1-4-16-14-11(10)2-5-17-14/h1-8H,(H,16,17)
InChIKeyXDJUXVAFYGTMPK-UHFFFAOYSA-N
XLogP3.53
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine (CID 166375887) is 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine is Clc1cnc2cc(-c3ccnc4[nH]ccc34)ccn12.
What is the InChIKey of 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is XDJUXVAFYGTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c15-12-8-18-13-7-9(3-6-19(12)13)10-1-4-16-14-11(10)2-5-17-14/h1-8H,(H,16,17).
What are the key properties of 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine?
3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 268.71 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 166375887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).