5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

C22H28N4O2 — CID 170442389

About 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol

5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (PubChem CID 170442389) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

• Compound Name: 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
• PubChem CID: 170442389
• Molecular Formula: C22H28N4O2
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.22
• IUPAC Name: 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
• SMILES: Cc1cc(N[C@@H]2CCCN(C3COC3)C2)nnc1-c1ccc2c(c1O)CCC2
• InChI: InChI=1S/C22H28N4O2/c1-14-10-20(23-16-5-3-9-26(11-16)17-12-28-13-17)24-25-21(14)19-8-7-15-4-2-6-18(15)22(19)27/h7-8,10,16-17,27H,2-6,9,11-13H2,1H3,(H,23,24)/t16-/m1/s1
• InChIKey: ZEIQTQGOZFAHIU-MRXNPFEDSA-N
• XLogP: 2.92
• TPSA: 70.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?

The IUPAC name of 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol (CID 170442389) is 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol.

What is the SMILES notation for 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?

The canonical SMILES for 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is Cc1cc(N[C@@H]2CCCN(C3COC3)C2)nnc1-c1ccc2c(c1O)CCC2.

What is the InChIKey of 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?

The InChIKey is ZEIQTQGOZFAHIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-10-20(23-16-5-3-9-26(11-16)17-12-28-13-17)24-25-21(14)19-8-7-15-4-2-6-18(15)22(19)27/h7-8,10,16-17,27H,2-6,9,11-13H2,1H3,(H,23,24)/t16-/m1/s1.

What are the key properties of 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol?

5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 380.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 170442389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).