2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

C25H18N4O3S — CID 164617032

IUPAC2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(C#N)cc3)c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)n2c1
InChIInChI=1S/C25H18N4O3S/c1-16-2-9-23-28-25(19-5-3-17(14-26)4-6-19)21(29(23)15-16)13-24(30)27-20-8-7-18-10-11-33(31,32)22(18)12-20/h2-12,15H,13H2,1H3,(H,27,30)
InChIKeyRAFKTRUOSZIZMB-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.12
Rot. Bonds4

About 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (PubChem CID 164617032) has the molecular formula C25H18N4O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
PubChem CID164617032
Molecular FormulaC25H18N4O3S
Molecular Weight454.51 g/mol
Exact Mass454.11
IUPAC Name2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESCc1ccc2nc(-c3ccc(C#N)cc3)c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)n2c1
InChIInChI=1S/C25H18N4O3S/c1-16-2-9-23-28-25(19-5-3-17(14-26)4-6-19)21(29(23)15-16)13-24(30)27-20-8-7-18-10-11-33(31,32)22(18)12-20/h2-12,15H,13H2,1H3,(H,27,30)
InChIKeyRAFKTRUOSZIZMB-UHFFFAOYSA-N
XLogP4.12
TPSA104.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (CID 164617032) is 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is Cc1ccc2nc(-c3ccc(C#N)cc3)c(CC(=O)Nc3ccc4c(c3)S(=O)(=O)C=C4)n2c1.
What is the InChIKey of 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The InChIKey is RAFKTRUOSZIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3S/c1-16-2-9-23-28-25(19-5-3-17(14-26)4-6-19)21(29(23)15-16)13-24(30)27-20-8-7-18-10-11-33(31,32)22(18)12-20/h2-12,15H,13H2,1H3,(H,27,30).
What are the key properties of 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide has a molecular weight of 454.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is sourced from PubChem (CID 164617032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).