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

C24H25ClN6O2S — CID 130274142

IUPAC4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-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)cs1
InChIInChI=1S/C24H25ClN6O2S/c1-3-19-22(28(2)23-27-20(15-34-23)16-4-6-17(25)7-5-16)31-14-18(8-9-21(31)26-19)29-10-12-30(13-11-29)24(32)33/h4-9,14-15H,3,10-13H2,1-2H3,(H,32,33)
InChIKeyVPOFVGSJZREEAI-UHFFFAOYSA-N
MW497.02 g/mol
LogP5.24
Rot. Bonds5

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

4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid (PubChem CID 130274142) has the molecular formula C24H25ClN6O2S and a molecular weight of 497.02 g/mol. Its IUPAC name is 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
PubChem CID130274142
Molecular FormulaC24H25ClN6O2S
Molecular Weight497.02 g/mol
Exact Mass496.14
IUPAC Name4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-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)cs1
InChIInChI=1S/C24H25ClN6O2S/c1-3-19-22(28(2)23-27-20(15-34-23)16-4-6-17(25)7-5-16)31-14-18(8-9-21(31)26-19)29-10-12-30(13-11-29)24(32)33/h4-9,14-15H,3,10-13H2,1-2H3,(H,32,33)
InChIKeyVPOFVGSJZREEAI-UHFFFAOYSA-N
XLogP5.24
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.02
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid (CID 130274142) is 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-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)cs1.
What is the InChIKey of 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
The InChIKey is VPOFVGSJZREEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2S/c1-3-19-22(28(2)23-27-20(15-34-23)16-4-6-17(25)7-5-16)31-14-18(8-9-21(31)26-19)29-10-12-30(13-11-29)24(32)33/h4-9,14-15H,3,10-13H2,1-2H3,(H,32,33).
What are the key properties of 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid?
4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid has a molecular weight of 497.02 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 130274142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).