1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone

C15H20N4OS — CID 20908482

IUPAC1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
SMILESCCC1CCCCN1C(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C15H20N4OS/c1-2-11-6-3-4-9-19(11)13(20)10-21-15-17-12-7-5-8-16-14(12)18-15/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,17,18)
InChIKeyAUVLOOVMACTERR-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone

1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone (PubChem CID 20908482) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
PubChem CID20908482
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
SMILESCCC1CCCCN1C(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C15H20N4OS/c1-2-11-6-3-4-9-19(11)13(20)10-21-15-17-12-7-5-8-16-14(12)18-15/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,17,18)
InChIKeyAUVLOOVMACTERR-UHFFFAOYSA-N
XLogP2.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6,9-Tetrahydro-1,3-dimethyl-8-((3-pyridinylmethyl)thio)-6-thioxo-2H-purin-2-one
CID 3034547
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
1,2,3,9-Tetrahydro-1,3-dimethyl-8-((2-pyridinylmethyl)thio)-2-thioxo-6H-purin-6-one
CID 97098
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
dCeMM3
CID 684872
2-[[4-(2-anilino-4-pyridinyl)-5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 137637913
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N,N-diethylacetamide
CID 1432270
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-isopropyl-acetamide
CID 1432472
2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-tert-butyl-acetamide
CID 1432482
N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 3214251

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone (CID 20908482) is 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone is CCC1CCCCN1C(=O)CSc1nc2ncccc2[nH]1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The InChIKey is AUVLOOVMACTERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-11-6-3-4-9-19(11)13(20)10-21-15-17-12-7-5-8-16-14(12)18-15/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,17,18).
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone has a molecular weight of 304.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone is sourced from PubChem (CID 20908482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).