2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide

C34H38FN5O2S — CID 171474291

About 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide

2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide (PubChem CID 171474291) has the molecular formula C34H38FN5O2S and a molecular weight of 599.78 g/mol. Its IUPAC name is 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
• PubChem CID: 171474291
• Molecular Formula: C34H38FN5O2S
• Molecular Weight: 599.78 g/mol
• Exact Mass: 599.27
• IUPAC Name: 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
• SMILES: Cc1nc2ncc(-c3cccc(N(CC45CCC(c6nc(C(C)C)no6)(CC4)CC5)C(=O)CC45CC(F)(C4)C5)c3)cc2s1
• InChI: InChI=1S/C34H38FN5O2S/c1-21(2)28-38-30(42-39-28)33-10-7-31(8-11-33,9-12-33)20-40(27(41)15-32-17-34(35,18-32)19-32)25-6-4-5-23(13-25)24-14-26-29(36-16-24)37-22(3)43-26/h4-6,13-14,16,21H,7-12,15,17-20H2,1-3H3
• InChIKey: QIRFWXRRVOJKHZ-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 85.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.78
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?

The IUPAC name of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide (CID 171474291) is 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide.

What is the SMILES notation for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?

The canonical SMILES for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide is Cc1nc2ncc(-c3cccc(N(CC45CCC(c6nc(C(C)C)no6)(CC4)CC5)C(=O)CC45CC(F)(C4)C5)c3)cc2s1.

What is the InChIKey of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?

The InChIKey is QIRFWXRRVOJKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN5O2S/c1-21(2)28-38-30(42-39-28)33-10-7-31(8-11-33,9-12-33)20-40(27(41)15-32-17-34(35,18-32)19-32)25-6-4-5-23(13-25)24-14-26-29(36-16-24)37-22(3)43-26/h4-6,13-14,16,21H,7-12,15,17-20H2,1-3H3.

What are the key properties of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?

2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide has a molecular weight of 599.78 g/mol, XLogP of 8.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide is sourced from PubChem (CID 171474291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).