2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide

C29H31F4N7O2S — CID 90420626

IUPAC2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCCc1nc2ccc(N3CCN(CC(=O)N(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)C(F)(F)F)s1
InChIInChI=1S/C29H31F4N7O2S/c1-5-21-27(37(4)28-35-24(18-6-8-19(30)9-7-18)25(43-28)26(42)29(31,32)33)40-16-20(10-11-22(40)34-21)39-14-12-38(13-15-39)17-23(41)36(2)3/h6-11,16H,5,12-15,17H2,1-4H3
InChIKeyUMTXHWQAMFXILW-UHFFFAOYSA-N
MW617.67 g/mol
LogP4.88
Rot. Bonds8

About 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 90420626) has the molecular formula C29H31F4N7O2S and a molecular weight of 617.67 g/mol. Its IUPAC name is 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID90420626
Molecular FormulaC29H31F4N7O2S
Molecular Weight617.67 g/mol
Exact Mass617.22
IUPAC Name2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCCc1nc2ccc(N3CCN(CC(=O)N(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)C(F)(F)F)s1
InChIInChI=1S/C29H31F4N7O2S/c1-5-21-27(37(4)28-35-24(18-6-8-19(30)9-7-18)25(43-28)26(42)29(31,32)33)40-16-20(10-11-22(40)34-21)39-14-12-38(13-15-39)17-23(41)36(2)3/h6-11,16H,5,12-15,17H2,1-4H3
InChIKeyUMTXHWQAMFXILW-UHFFFAOYSA-N
XLogP4.88
TPSA77.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.67
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide 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 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide (CID 90420626) is 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide is CCc1nc2ccc(N3CCN(CC(=O)N(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)C(F)(F)F)s1.
What is the InChIKey of 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is UMTXHWQAMFXILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N7O2S/c1-5-21-27(37(4)28-35-24(18-6-8-19(30)9-7-18)25(43-28)26(42)29(31,32)33)40-16-20(10-11-22(40)34-21)39-14-12-38(13-15-39)17-23(41)36(2)3/h6-11,16H,5,12-15,17H2,1-4H3.
What are the key properties of 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 617.67 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 90420626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).