4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid

C23H24ClN7O2S — CID 130272829

IUPAC4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
SMILESCCc1nc2ccc(N3CCN(C(=O)O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C23H24ClN7O2S/c1-3-18-21(28(2)22-26-20(27-34-22)15-4-6-16(24)7-5-15)31-14-17(8-9-19(31)25-18)29-10-12-30(13-11-29)23(32)33/h4-9,14H,3,10-13H2,1-2H3,(H,32,33)
InChIKeyPYXZZLGMVGCWOY-UHFFFAOYSA-N
MW498.01 g/mol
LogP4.64
Rot. Bonds5

About 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid

4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid (PubChem CID 130272829) has the molecular formula C23H24ClN7O2S and a molecular weight of 498.01 g/mol. Its IUPAC name is 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
PubChem CID130272829
Molecular FormulaC23H24ClN7O2S
Molecular Weight498.01 g/mol
Exact Mass497.14
IUPAC Name4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
SMILESCCc1nc2ccc(N3CCN(C(=O)O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C23H24ClN7O2S/c1-3-18-21(28(2)22-26-20(27-34-22)15-4-6-16(24)7-5-15)31-14-17(8-9-19(31)25-18)29-10-12-30(13-11-29)23(32)33/h4-9,14H,3,10-13H2,1-2H3,(H,32,33)
InChIKeyPYXZZLGMVGCWOY-UHFFFAOYSA-N
XLogP4.64
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid (CID 130272829) is 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid is CCc1nc2ccc(N3CCN(C(=O)O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)ns1.
What is the InChIKey of 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
The InChIKey is PYXZZLGMVGCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2S/c1-3-18-21(28(2)22-26-20(27-34-22)15-4-6-16(24)7-5-15)31-14-17(8-9-19(31)25-18)29-10-12-30(13-11-29)23(32)33/h4-9,14H,3,10-13H2,1-2H3,(H,32,33).
What are the key properties of 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid has a molecular weight of 498.01 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 130272829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).