N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C26H26N8O2 — CID 154837363

About N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 154837363) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• PubChem CID: 154837363
• Molecular Formula: C26H26N8O2
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.22
• IUPAC Name: N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• SMILES: O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C1CCN(c2ccc3nnnn3n2)CC1
• InChI: InChI=1S/C26H26N8O2/c35-25(33-16-13-19-3-1-2-4-22(19)33)17-18-5-7-21(8-6-18)27-26(36)20-11-14-32(15-12-20)24-10-9-23-28-30-31-34(23)29-24/h1-10,20H,11-17H2,(H,27,36)
• InChIKey: CQWPUIFTPFJXEL-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 108.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The IUPAC name of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 154837363) is N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)C1CCN(c2ccc3nnnn3n2)CC1.

What is the InChIKey of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The InChIKey is CQWPUIFTPFJXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c35-25(33-16-13-19-3-1-2-4-22(19)33)17-18-5-7-21(8-6-18)27-26(36)20-11-14-32(15-12-20)24-10-9-23-28-30-31-34(23)29-24/h1-10,20H,11-17H2,(H,27,36).

What are the key properties of N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154837363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).