2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone

C33H42N8O2 — CID 147971713

About 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone

2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 147971713) has the molecular formula C33H42N8O2 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone
• PubChem CID: 147971713
• Molecular Formula: C33H42N8O2
• Molecular Weight: 582.75 g/mol
• Exact Mass: 582.34
• IUPAC Name: 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone
• SMILES: Cc1nn(Cc2ccn(C(C)C)n2)c2cccc(CC(=O)c3cnc4cc(OCCN5CCN(C(C)C)CC5)ccn34)c12
• InChI: InChI=1S/C33H42N8O2/c1-23(2)38-15-13-37(14-16-38)17-18-43-28-10-11-39-30(21-34-32(39)20-28)31(42)19-26-7-6-8-29-33(26)25(5)35-41(29)22-27-9-12-40(36-27)24(3)4/h6-12,20-21,23-24H,13-19,22H2,1-5H3
• InChIKey: IRLXAHPLNWBTJI-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 85.72 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.75
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone?

The IUPAC name of 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone (CID 147971713) is 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone.

What is the SMILES notation for 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone?

The canonical SMILES for 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone is Cc1nn(Cc2ccn(C(C)C)n2)c2cccc(CC(=O)c3cnc4cc(OCCN5CCN(C(C)C)CC5)ccn34)c12.

What is the InChIKey of 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone?

The InChIKey is IRLXAHPLNWBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N8O2/c1-23(2)38-15-13-37(14-16-38)17-18-43-28-10-11-39-30(21-34-32(39)20-28)31(42)19-26-7-6-8-29-33(26)25(5)35-41(29)22-27-9-12-40(36-27)24(3)4/h6-12,20-21,23-24H,13-19,22H2,1-5H3.

What are the key properties of 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone?

2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 582.75 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 147971713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).