3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine

C15H9ClN4S — CID 117164830

IUPAC3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESClc1ccc(-n2c(-c3ccccn3)nc3cccnc32)s1
InChIInChI=1S/C15H9ClN4S/c16-12-6-7-13(21-12)20-14-11(5-3-9-18-14)19-15(20)10-4-1-2-8-17-10/h1-9H
InChIKeyNXWQETVONXVFQV-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.20
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine

3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164830) has the molecular formula C15H9ClN4S and a molecular weight of 312.79 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
PubChem CID117164830
Molecular FormulaC15H9ClN4S
Molecular Weight312.79 g/mol
Exact Mass312.02
IUPAC Name3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESClc1ccc(-n2c(-c3ccccn3)nc3cccnc32)s1
InChIInChI=1S/C15H9ClN4S/c16-12-6-7-13(21-12)20-14-11(5-3-9-18-14)19-15(20)10-4-1-2-8-17-10/h1-9H
InChIKeyNXWQETVONXVFQV-UHFFFAOYSA-N
XLogP4.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine
CID 117165849
1,2-dipyridin-2-ylbenzimidazole
CID 122179936
2-pyridin-2-yl-1-[2,4,6-trimethyl-3,5-bis(2-pyridin-2-ylbenzimidazol-1-yl)phenyl]benzimidazole
CID 89180674
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117165868
3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164845
2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117164334
3-(2-methoxyethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164775
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160861
2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164361
2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164787

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine (CID 117164830) is 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine is Clc1ccc(-n2c(-c3ccccn3)nc3cccnc32)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is NXWQETVONXVFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4S/c16-12-6-7-13(21-12)20-14-11(5-3-9-18-14)19-15(20)10-4-1-2-8-17-10/h1-9H.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 312.79 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).