2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide

C29H32FN7OS — CID 90420410

IUPAC2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCc1nc2ccc(C3CCN(CC(=O)N(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)cs1
InChIInChI=1S/C29H32FN7OS/c1-5-24-28(35(4)29-33-25(18-39-29)23-8-7-22(30)14-21(23)15-31)37-16-20(6-9-26(37)32-24)19-10-12-36(13-11-19)17-27(38)34(2)3/h6-9,14,16,18-19H,5,10-13,17H2,1-4H3
InChIKeyLAKBVWRJGNUPRC-UHFFFAOYSA-N
MW545.69 g/mol
LogP5.07
Rot. Bonds7

About 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 90420410) has the molecular formula C29H32FN7OS and a molecular weight of 545.69 g/mol. Its IUPAC name is 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID90420410
Molecular FormulaC29H32FN7OS
Molecular Weight545.69 g/mol
Exact Mass545.24
IUPAC Name2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCc1nc2ccc(C3CCN(CC(=O)N(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)cs1
InChIInChI=1S/C29H32FN7OS/c1-5-24-28(35(4)29-33-25(18-39-29)23-8-7-22(30)14-21(23)15-31)37-16-20(6-9-26(37)32-24)19-10-12-36(13-11-19)17-27(38)34(2)3/h6-9,14,16,18-19H,5,10-13,17H2,1-4H3
InChIKeyLAKBVWRJGNUPRC-UHFFFAOYSA-N
XLogP5.07
TPSA80.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-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-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 90420410) is 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide is CCc1nc2ccc(C3CCN(CC(=O)N(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C#N)cs1.
What is the InChIKey of 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is LAKBVWRJGNUPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7OS/c1-5-24-28(35(4)29-33-25(18-39-29)23-8-7-22(30)14-21(23)15-31)37-16-20(6-9-26(37)32-24)19-10-12-36(13-11-19)17-27(38)34(2)3/h6-9,14,16,18-19H,5,10-13,17H2,1-4H3.
What are the key properties of 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 545.69 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[4-(2-cyano-4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 90420410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).