[2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol

C26H30FN5O3S2 — CID 90420885

About [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol

[2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol (PubChem CID 90420885) has the molecular formula C26H30FN5O3S2 and a molecular weight of 543.69 g/mol. Its IUPAC name is [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol.

Molecular Properties

• Compound Name: [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol
• PubChem CID: 90420885
• Molecular Formula: C26H30FN5O3S2
• Molecular Weight: 543.69 g/mol
• Exact Mass: 543.18
• IUPAC Name: [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol
• SMILES: CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2CO)cs1
• InChI: InChI=1S/C26H30FN5O3S2/c1-4-22-25(30(2)26-29-23(16-36-26)21-7-6-20(27)13-19(21)15-33)32-14-18(5-8-24(32)28-22)17-9-11-31(12-10-17)37(3,34)35/h5-8,13-14,16-17,33H,4,9-12,15H2,1-3H3
• InChIKey: KLESIVUURRNEOC-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 91.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.69
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol?

The IUPAC name of [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol (CID 90420885) is [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol.

What is the SMILES notation for [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol?

The canonical SMILES for [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2CO)cs1.

What is the InChIKey of [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol?

The InChIKey is KLESIVUURRNEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3S2/c1-4-22-25(30(2)26-29-23(16-36-26)21-7-6-20(27)13-19(21)15-33)32-14-18(5-8-24(32)28-22)17-9-11-31(12-10-17)37(3,34)35/h5-8,13-14,16-17,33H,4,9-12,15H2,1-3H3.

What are the key properties of [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol?

[2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol has a molecular weight of 543.69 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorophenyl]methanol is sourced from PubChem (CID 90420885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).