N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C28H32N8O2 — CID 154640143

About N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 154640143) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
• PubChem CID: 154640143
• Molecular Formula: C28H32N8O2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.26
• IUPAC Name: N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
• SMILES: CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3nnc(C4CCN(CC(=O)N(C)C)CC4)o3)cc12
• InChI: InChI=1S/C28H32N8O2/c1-16(2)24-20-13-18(5-6-22(20)31-25(24)19-7-10-29-26-21(19)14-30-32-26)28-34-33-27(38-28)17-8-11-36(12-9-17)15-23(37)35(3)4/h5-7,10,13-14,16-17,31H,8-9,11-12,15H2,1-4H3,(H,29,30,32)
• InChIKey: NZSBMCIZMRPVNJ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 119.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 154640143) is N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(-c3nnc(C4CCN(CC(=O)N(C)C)CC4)o3)cc12.

What is the InChIKey of N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?

The InChIKey is NZSBMCIZMRPVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-16(2)24-20-13-18(5-6-22(20)31-25(24)19-7-10-29-26-21(19)14-30-32-26)28-34-33-27(38-28)17-8-11-36(12-9-17)15-23(37)35(3)4/h5-7,10,13-14,16-17,31H,8-9,11-12,15H2,1-4H3,(H,29,30,32).

What are the key properties of N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?

N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 512.62 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-[5-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 154640143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).