2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone

C14H17ClN4OS — CID 17439366

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)C1
InChIInChI=1S/C14H17ClN4OS/c1-9-3-2-4-19(7-9)12(20)8-21-14-17-11-5-10(15)6-16-13(11)18-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyPGLFMRURDQIQCP-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.96
Rot. Bonds3

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 17439366) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID17439366
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)C1
InChIInChI=1S/C14H17ClN4OS/c1-9-3-2-4-19(7-9)12(20)8-21-14-17-11-5-10(15)6-16-13(11)18-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,18)
InChIKeyPGLFMRURDQIQCP-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 7624804
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 7624451
2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 6486869
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7624601
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7624600
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 7624471
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 7624764
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40652484
5,6-dimethyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 1460248
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 2045265
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9362210
1-(3-methylpiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 42892883

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone (CID 17439366) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)C1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is PGLFMRURDQIQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9-3-2-4-19(7-9)12(20)8-21-14-17-11-5-10(15)6-16-13(11)18-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 324.84 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 17439366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).