2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

C23H16ClN3O3S — CID 164616822

IUPAC2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)nc2cc(Cl)ccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C23H16ClN3O3S/c24-17-8-10-27-19(23(26-21(27)12-17)16-4-2-1-3-5-16)14-22(28)25-18-7-6-15-9-11-31(29,30)20(15)13-18/h1-13H,14H2,(H,25,28)
InChIKeyVARQWUYITRCDON-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.59
Rot. Bonds4

About 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (PubChem CID 164616822) has the molecular formula C23H16ClN3O3S and a molecular weight of 449.92 g/mol. Its IUPAC name is 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
PubChem CID164616822
Molecular FormulaC23H16ClN3O3S
Molecular Weight449.92 g/mol
Exact Mass449.06
IUPAC Name2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)nc2cc(Cl)ccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C23H16ClN3O3S/c24-17-8-10-27-19(23(26-21(27)12-17)16-4-2-1-3-5-16)14-22(28)25-18-7-6-15-9-11-31(29,30)20(15)13-18/h1-13H,14H2,(H,25,28)
InChIKeyVARQWUYITRCDON-UHFFFAOYSA-N
XLogP4.59
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The IUPAC name of 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (CID 164616822) is 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The canonical SMILES for 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is O=C(Cc1c(-c2ccccc2)nc2cc(Cl)ccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2.
What is the InChIKey of 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The InChIKey is VARQWUYITRCDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O3S/c24-17-8-10-27-19(23(26-21(27)12-17)16-4-2-1-3-5-16)14-22(28)25-18-7-6-15-9-11-31(29,30)20(15)13-18/h1-13H,14H2,(H,25,28).
What are the key properties of 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide has a molecular weight of 449.92 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is sourced from PubChem (CID 164616822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).