5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one

C28H30FN7O2S — CID 90420829

IUPAC5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1nc2ccc(N3CCN(C(=O)C4CCC(=O)N4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H30FN7O2S/c1-3-21-26(33(2)28-32-23(17-39-28)18-4-6-19(29)7-5-18)36-16-20(8-10-24(36)30-21)34-12-14-35(15-13-34)27(38)22-9-11-25(37)31-22/h4-8,10,16-17,22H,3,9,11-15H2,1-2H3,(H,31,37)
InChIKeyZJRNOXAQWIRVCB-UHFFFAOYSA-N
MW547.66 g/mol
LogP3.85
Rot. Bonds6

About 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90420829) has the molecular formula C28H30FN7O2S and a molecular weight of 547.66 g/mol. Its IUPAC name is 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID90420829
Molecular FormulaC28H30FN7O2S
Molecular Weight547.66 g/mol
Exact Mass547.22
IUPAC Name5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1nc2ccc(N3CCN(C(=O)C4CCC(=O)N4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H30FN7O2S/c1-3-21-26(33(2)28-32-23(17-39-28)18-4-6-19(29)7-5-18)36-16-20(8-10-24(36)30-21)34-12-14-35(15-13-34)27(38)22-9-11-25(37)31-22/h4-8,10,16-17,22H,3,9,11-15H2,1-2H3,(H,31,37)
InChIKeyZJRNOXAQWIRVCB-UHFFFAOYSA-N
XLogP3.85
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 90420829) is 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one is CCc1nc2ccc(N3CCN(C(=O)C4CCC(=O)N4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZJRNOXAQWIRVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O2S/c1-3-21-26(33(2)28-32-23(17-39-28)18-4-6-19(29)7-5-18)36-16-20(8-10-24(36)30-21)34-12-14-35(15-13-34)27(38)22-9-11-25(37)31-22/h4-8,10,16-17,22H,3,9,11-15H2,1-2H3,(H,31,37).
What are the key properties of 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 547.66 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90420829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).