[4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone

C23H25F6N5O3S — CID 174182424

About [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone

[4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone (PubChem CID 174182424) has the molecular formula C23H25F6N5O3S and a molecular weight of 565.54 g/mol. Its IUPAC name is [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone.

Molecular Properties

• Compound Name: [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
• PubChem CID: 174182424
• Molecular Formula: C23H25F6N5O3S
• Molecular Weight: 565.54 g/mol
• Exact Mass: 565.16
• IUPAC Name: [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
• SMILES: CN1CCOC(c2nc3ncc(F)c(C4CCN(C(=O)c5ccc(S(F)(F)(F)(F)F)cc5O)CC4)c3[nH]2)C1
• InChI: InChI=1S/C23H25F6N5O3S/c1-33-8-9-37-18(12-33)21-31-20-19(16(24)11-30-22(20)32-21)13-4-6-34(7-5-13)23(36)15-3-2-14(10-17(15)35)38(25,26,27,28)29/h2-3,10-11,13,18,35H,4-9,12H2,1H3,(H,30,31,32)
• InChIKey: BSXATPLVLKXERH-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 94.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.54
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?

The IUPAC name of [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone (CID 174182424) is [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone.

What is the SMILES notation for [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?

The canonical SMILES for [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone is CN1CCOC(c2nc3ncc(F)c(C4CCN(C(=O)c5ccc(S(F)(F)(F)(F)F)cc5O)CC4)c3[nH]2)C1.

What is the InChIKey of [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?

The InChIKey is BSXATPLVLKXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6N5O3S/c1-33-8-9-37-18(12-33)21-31-20-19(16(24)11-30-22(20)32-21)13-4-6-34(7-5-13)23(36)15-3-2-14(10-17(15)35)38(25,26,27,28)29/h2-3,10-11,13,18,35H,4-9,12H2,1H3,(H,30,31,32).

What are the key properties of [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone?

[4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone has a molecular weight of 565.54 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-fluoro-2-(4-methylmorpholin-2-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[2-hydroxy-4-(pentafluoro-λ6-sulfanyl)phenyl]methanone is sourced from PubChem (CID 174182424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).