3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C24H26N6O2 — CID 122347236

About 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347236) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122347236
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1cccc(Nc2ccc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)nn2)n1
• InChI: InChI=1S/C24H26N6O2/c1-17-5-4-8-21(25-17)26-22-11-12-23(28-27-22)29-13-15-30(16-14-29)24(31)20-10-9-18-6-2-3-7-19(18)32-20/h2-8,11-12,20H,9-10,13-16H2,1H3,(H,25,26,27)
• InChIKey: BWLOVHCQKZUQOM-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347236) is 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1cccc(Nc2ccc(N3CCN(C(=O)C4CCc5ccccc5O4)CC3)nn2)n1.

What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is BWLOVHCQKZUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-5-4-8-21(25-17)26-22-11-12-23(28-27-22)29-13-15-30(16-14-29)24(31)20-10-9-18-6-2-3-7-19(18)32-20/h2-8,11-12,20H,9-10,13-16H2,1H3,(H,25,26,27).

What are the key properties of 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 430.51 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-chromen-2-yl-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).