2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone

C12H9N3OS — CID 126534748

IUPAC2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccnc2nc[nH]c12)c1cccs1
InChIInChI=1S/C12H9N3OS/c16-9(10-2-1-5-17-10)6-8-3-4-13-12-11(8)14-7-15-12/h1-5,7H,6H2,(H,13,14,15)
InChIKeyLFEOJGRFHVKXKM-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.44
Rot. Bonds3

About 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone

2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone (PubChem CID 126534748) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone
PubChem CID126534748
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccnc2nc[nH]c12)c1cccs1
InChIInChI=1S/C12H9N3OS/c16-9(10-2-1-5-17-10)6-8-3-4-13-12-11(8)14-7-15-12/h1-5,7H,6H2,(H,13,14,15)
InChIKeyLFEOJGRFHVKXKM-UHFFFAOYSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
CID 58171199
2-(2-pyridin-2-ylphenyl)-1-thiophen-2-ylethanone
CID 151487263
2-pyridazin-3-yl-1-thiophen-2-ylethanone
CID 116832889
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-thiophen-2-ylethanone
CID 116826252
1-thiophen-2-ylpropan-1-one
CID 26179
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
CID 160839324
2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
CID 3876278
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone (CID 126534748) is 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone is O=C(Cc1ccnc2nc[nH]c12)c1cccs1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone?
The InChIKey is LFEOJGRFHVKXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-9(10-2-1-5-17-10)6-8-3-4-13-12-11(8)14-7-15-12/h1-5,7H,6H2,(H,13,14,15).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone?
2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone has a molecular weight of 243.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-7-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 126534748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).