5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide

C25H26ClN7O3 — CID 152870328

About 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide

5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide (PubChem CID 152870328) has the molecular formula C25H26ClN7O3 and a molecular weight of 507.98 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 152870328
• Molecular Formula: C25H26ClN7O3
• Molecular Weight: 507.98 g/mol
• Exact Mass: 507.18
• IUPAC Name: 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide
• SMILES: CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(Cl)cn5)CC4)n3)cc21
• InChI: InChI=1S/C25H26ClN7O3/c1-15(2)33-21-11-17(3-4-18(21)12-29-33)23-30-25(36-31-23)16-7-9-32(10-8-16)22(34)14-28-24(35)20-6-5-19(26)13-27-20/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,28,35)
• InChIKey: TZGWCOWZPYTLAB-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 119.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.98
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide (CID 152870328) is 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide is CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(Cl)cn5)CC4)n3)cc21.

What is the InChIKey of 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is TZGWCOWZPYTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O3/c1-15(2)33-21-11-17(3-4-18(21)12-29-33)23-30-25(36-31-23)16-7-9-32(10-8-16)22(34)14-28-24(35)20-6-5-19(26)13-27-20/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,28,35).

What are the key properties of 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide?

5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 507.98 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 152870328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).