1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

C26H29N7O3 — CID 122351382

About 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122351382) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 122351382
• Molecular Formula: C26H29N7O3
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.23
• IUPAC Name: 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
• SMILES: COc1cccc(N2CC(C(=O)N3CCN(c4ccc(Nc5ccc(C)cn5)nn4)CC3)CC2=O)c1
• InChI: InChI=1S/C26H29N7O3/c1-18-6-7-22(27-16-18)28-23-8-9-24(30-29-23)31-10-12-32(13-11-31)26(35)19-14-25(34)33(17-19)20-4-3-5-21(15-20)36-2/h3-9,15-16,19H,10-14,17H2,1-2H3,(H,27,28,29)
• InChIKey: AAKRJIYWQMFJAR-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 103.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 122351382) is 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is COc1cccc(N2CC(C(=O)N3CCN(c4ccc(Nc5ccc(C)cn5)nn4)CC3)CC2=O)c1.

What is the InChIKey of 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is AAKRJIYWQMFJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-18-6-7-22(27-16-18)28-23-8-9-24(30-29-23)31-10-12-32(13-11-31)26(35)19-14-25(34)33(17-19)20-4-3-5-21(15-20)36-2/h3-9,15-16,19H,10-14,17H2,1-2H3,(H,27,28,29).

What are the key properties of 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?

1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 487.56 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122351382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).