[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate

C24H25FN6O2S — CID 172703723

IUPAC[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate
SMILESCCc1nc2ccc(OC(=O)N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H25FN6O2S/c1-3-19-22(29(2)23-28-20(15-34-23)16-4-6-17(25)7-5-16)31-14-18(8-9-21(31)27-19)33-24(32)30-12-10-26-11-13-30/h4-9,14-15,26H,3,10-13H2,1-2H3
InChIKeyDHOJZKQKGNHKPL-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.33
Rot. Bonds5

About [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate

[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate (PubChem CID 172703723) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate
PubChem CID172703723
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC Name[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate
SMILESCCc1nc2ccc(OC(=O)N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H25FN6O2S/c1-3-19-22(29(2)23-28-20(15-34-23)16-4-6-17(25)7-5-16)31-14-18(8-9-21(31)27-19)33-24(32)30-12-10-26-11-13-30/h4-9,14-15,26H,3,10-13H2,1-2H3
InChIKeyDHOJZKQKGNHKPL-UHFFFAOYSA-N
XLogP4.33
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate?
The IUPAC name of [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate (CID 172703723) is [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate.
What is the SMILES notation for [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate?
The canonical SMILES for [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate is CCc1nc2ccc(OC(=O)N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate?
The InChIKey is DHOJZKQKGNHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-3-19-22(29(2)23-28-20(15-34-23)16-4-6-17(25)7-5-16)31-14-18(8-9-21(31)27-19)33-24(32)30-12-10-26-11-13-30/h4-9,14-15,26H,3,10-13H2,1-2H3.
What are the key properties of [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate?
[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl] piperazine-1-carboxylate is sourced from PubChem (CID 172703723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).