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

C19H23N7O2 — CID 121064759

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

5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121064759) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 121064759
• Molecular Formula: C19H23N7O2
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.19
• IUPAC Name: 5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
• SMILES: Cc1ccnc(Nc2ccc(N3CCN(C(=O)C4CCC(=O)N4)CC3)nn2)c1
• InChI: InChI=1S/C19H23N7O2/c1-13-6-7-20-16(12-13)22-15-3-4-17(24-23-15)25-8-10-26(11-9-25)19(28)14-2-5-18(27)21-14/h3-4,6-7,12,14H,2,5,8-11H2,1H3,(H,21,27)(H,20,22,23)
• InChIKey: CORFPPUYEYJZKA-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 103.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 121064759) is 5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

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

The canonical SMILES for 5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccnc(Nc2ccc(N3CCN(C(=O)C4CCC(=O)N4)CC3)nn2)c1.

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

The InChIKey is CORFPPUYEYJZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-13-6-7-20-16(12-13)22-15-3-4-17(24-23-15)25-8-10-26(11-9-25)19(28)14-2-5-18(27)21-14/h3-4,6-7,12,14H,2,5,8-11H2,1H3,(H,21,27)(H,20,22,23).

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

5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 381.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121064759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).