[4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone

C22H24F5N5O2S — CID 170734051

About [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone

[4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone (PubChem CID 170734051) has the molecular formula C22H24F5N5O2S and a molecular weight of 517.52 g/mol. Its IUPAC name is [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone.

Molecular Properties

• Compound Name: [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
• PubChem CID: 170734051
• Molecular Formula: C22H24F5N5O2S
• Molecular Weight: 517.52 g/mol
• Exact Mass: 517.16
• IUPAC Name: [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
• SMILES: O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(c2ccnc3nc([C@H]4CNCCO4)[nH]c23)CC1
• InChI: InChI=1S/C22H24F5N5O2S/c23-35(24,25,26,27)16-3-1-15(2-4-16)22(33)32-10-6-14(7-11-32)17-5-8-29-21-19(17)30-20(31-21)18-13-28-9-12-34-18/h1-5,8,14,18,28H,6-7,9-13H2,(H,29,30,31)/t18-/m1/s1
• InChIKey: XSNWJCWFHXCCRC-GOSISDBHSA-N
• XLogP: 5.30
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.52
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone (CID 170734051) is [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone.

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

The canonical SMILES for [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone is O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(c2ccnc3nc([C@H]4CNCCO4)[nH]c23)CC1.

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

The InChIKey is XSNWJCWFHXCCRC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24F5N5O2S/c23-35(24,25,26,27)16-3-1-15(2-4-16)22(33)32-10-6-14(7-11-32)17-5-8-29-21-19(17)30-20(31-21)18-13-28-9-12-34-18/h1-5,8,14,18,28H,6-7,9-13H2,(H,29,30,31)/t18-/m1/s1.

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

[4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone has a molecular weight of 517.52 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone is sourced from PubChem (CID 170734051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).