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

C20H26N4O — CID 164544832

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

6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 164544832) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

• Compound Name: 6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
• PubChem CID: 164544832
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.46 g/mol
• Exact Mass: 338.21
• IUPAC Name: 6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
• SMILES: Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1cc2c(cc1O)CCC2
• InChI: InChI=1S/C20H26N4O/c1-13-9-19(21-16-7-4-8-24(2)12-16)22-23-20(13)17-10-14-5-3-6-15(14)11-18(17)25/h9-11,16,25H,3-8,12H2,1-2H3,(H,21,22)/t16-/m1/s1
• InChIKey: NOLIIGAOUAMLEU-MRXNPFEDSA-N
• XLogP: 3.15
• TPSA: 61.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.46
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol (CID 164544832) is 6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol.

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

The canonical SMILES for 6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1cc2c(cc1O)CCC2.

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

The InChIKey is NOLIIGAOUAMLEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-9-19(21-16-7-4-8-24(2)12-16)22-23-20(13)17-10-14-5-3-6-15(14)11-18(17)25/h9-11,16,25H,3-8,12H2,1-2H3,(H,21,22)/t16-/m1/s1.

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

6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 338.46 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 164544832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).