2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H20N6OS — CID 46958754

IUPAC2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(n3cnc4cccnc43)CC2)n1
InChIInChI=1S/C17H20N6OS/c1-12-10-25-17(20-12)21-15(24)9-22-7-4-13(5-8-22)23-11-19-14-3-2-6-18-16(14)23/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,20,21,24)
InChIKeyFCGMVEVZSYLMAG-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.47
Rot. Bonds4

About 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 46958754) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID46958754
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(n3cnc4cccnc43)CC2)n1
InChIInChI=1S/C17H20N6OS/c1-12-10-25-17(20-12)21-15(24)9-22-7-4-13(5-8-22)23-11-19-14-3-2-6-18-16(14)23/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,20,21,24)
InChIKeyFCGMVEVZSYLMAG-UHFFFAOYSA-N
XLogP2.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide
CID 46958748
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34200972
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494462
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63904542
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 60506544
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 90508032

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 46958754) is 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCC(n3cnc4cccnc43)CC2)n1.
What is the InChIKey of 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FCGMVEVZSYLMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12-10-25-17(20-12)21-15(24)9-22-7-4-13(5-8-22)23-11-19-14-3-2-6-18-16(14)23/h2-3,6,10-11,13H,4-5,7-9H2,1H3,(H,20,21,24).
What are the key properties of 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 356.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46958754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).