3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide

C22H19ClN4O3S — CID 24992961

IUPAC3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C22H19ClN4O3S/c1-12(14-5-3-4-6-15(14)23)30-17-10-18(31-20(17)21(24)28)16-11-26-19-9-13(22(29)25-2)7-8-27(16)19/h3-12H,1-2H3,(H2,24,28)(H,25,29)
InChIKeyTWWQKNCDXQHGLF-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.31
Rot. Bonds6

About 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide

3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 24992961) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID24992961
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C22H19ClN4O3S/c1-12(14-5-3-4-6-15(14)23)30-17-10-18(31-20(17)21(24)28)16-11-26-19-9-13(22(29)25-2)7-8-27(16)19/h3-12H,1-2H3,(H2,24,28)(H,25,29)
InChIKeyTWWQKNCDXQHGLF-UHFFFAOYSA-N
XLogP4.31
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide (CID 24992961) is 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide is CNC(=O)c1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.
What is the InChIKey of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is TWWQKNCDXQHGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-12(14-5-3-4-6-15(14)23)30-17-10-18(31-20(17)21(24)28)16-11-26-19-9-13(22(29)25-2)7-8-27(16)19/h3-12H,1-2H3,(H2,24,28)(H,25,29).
What are the key properties of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 24992961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).