N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide

C27H25FN8O2S2 — CID 162434425

About N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide

N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 162434425) has the molecular formula C27H25FN8O2S2 and a molecular weight of 576.68 g/mol. Its IUPAC name is N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide
• PubChem CID: 162434425
• Molecular Formula: C27H25FN8O2S2
• Molecular Weight: 576.68 g/mol
• Exact Mass: 576.15
• IUPAC Name: N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide
• SMILES: CCc1nc2ccc(-c3cnc(N(C)S(C)(=O)=O)nc3)cn2c1N(CC)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C27H25FN8O2S2/c1-5-21-25(35(6-2)27-33-24(22(13-29)39-27)17-7-10-20(28)11-8-17)36-16-18(9-12-23(36)32-21)19-14-30-26(31-15-19)34(3)40(4,37)38/h7-12,14-16H,5-6H2,1-4H3
• InChIKey: WCPCWGKYDAAVIK-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 120.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.68
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide?

The IUPAC name of N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide (CID 162434425) is N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide is CCc1nc2ccc(-c3cnc(N(C)S(C)(=O)=O)nc3)cn2c1N(CC)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide?

The InChIKey is WCPCWGKYDAAVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN8O2S2/c1-5-21-25(35(6-2)27-33-24(22(13-29)39-27)17-7-10-20(28)11-8-17)36-16-18(9-12-23(36)32-21)19-14-30-26(31-15-19)34(3)40(4,37)38/h7-12,14-16H,5-6H2,1-4H3.

What are the key properties of N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide?

N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 576.68 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-ethylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 162434425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).