2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

C17H18N4OS — CID 3752883

IUPAC2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)12-5-7-13(8-6-12)19-15(22)10-23-17-20-14-4-3-9-18-16(14)21-17/h3-9,11H,10H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyWQPNUZNQSJIPQH-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.81
Rot. Bonds5

About 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide

2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 3752883) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID3752883
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C17H18N4OS/c1-11(2)12-5-7-13(8-6-12)19-15(22)10-23-17-20-14-4-3-9-18-16(14)21-17/h3-9,11H,10H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyWQPNUZNQSJIPQH-UHFFFAOYSA-N
XLogP3.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide (CID 3752883) is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WQPNUZNQSJIPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(2)12-5-7-13(8-6-12)19-15(22)10-23-17-20-14-4-3-9-18-16(14)21-17/h3-9,11H,10H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide?
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 3752883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).