1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone

C24H26ClN5O5S — CID 121309947

IUPAC1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(N4CCCS4(=O)=O)cn23)CC1
InChIInChI=1S/C24H26ClN5O5S/c1-35-16-21(31)27-10-12-28(13-11-27)24(32)23-22(17-3-5-18(25)6-4-17)26-20-8-7-19(15-29(20)23)30-9-2-14-36(30,33)34/h3-8,15H,2,9-14,16H2,1H3
InChIKeyAWDWZMFGHDTAMH-UHFFFAOYSA-N
MW532.02 g/mol
LogP2.13
Rot. Bonds5

About 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 121309947) has the molecular formula C24H26ClN5O5S and a molecular weight of 532.02 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID121309947
Molecular FormulaC24H26ClN5O5S
Molecular Weight532.02 g/mol
Exact Mass531.13
IUPAC Name1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(N4CCCS4(=O)=O)cn23)CC1
InChIInChI=1S/C24H26ClN5O5S/c1-35-16-21(31)27-10-12-28(13-11-27)24(32)23-22(17-3-5-18(25)6-4-17)26-20-8-7-19(15-29(20)23)30-9-2-14-36(30,33)34/h3-8,15H,2,9-14,16H2,1H3
InChIKeyAWDWZMFGHDTAMH-UHFFFAOYSA-N
XLogP2.13
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.02
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone (CID 121309947) is 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2c(-c3ccc(Cl)cc3)nc3ccc(N4CCCS4(=O)=O)cn23)CC1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is AWDWZMFGHDTAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O5S/c1-35-16-21(31)27-10-12-28(13-11-27)24(32)23-22(17-3-5-18(25)6-4-17)26-20-8-7-19(15-29(20)23)30-9-2-14-36(30,33)34/h3-8,15H,2,9-14,16H2,1H3.
What are the key properties of 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 532.02 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)-6-(1,1-dioxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 121309947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).