5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one

C23H30N6O — CID 129323669

About 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one

5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 129323669) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

• Compound Name: 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
• PubChem CID: 129323669
• Molecular Formula: C23H30N6O
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.25
• IUPAC Name: 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
• SMILES: CC(C)N(C)c1cnn([C@@H]2CCCN(Cc3nccn3-c3ccccc3)C2)c(=O)c1
• InChI: InChI=1S/C23H30N6O/c1-18(2)26(3)21-14-23(30)29(25-15-21)20-10-7-12-27(16-20)17-22-24-11-13-28(22)19-8-5-4-6-9-19/h4-6,8-9,11,13-15,18,20H,7,10,12,16-17H2,1-3H3/t20-/m1/s1
• InChIKey: CZWBRPGMDARXPF-HXUWFJFHSA-N
• XLogP: 3.11
• TPSA: 59.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one?

The IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one (CID 129323669) is 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one.

What is the SMILES notation for 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one?

The canonical SMILES for 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one is CC(C)N(C)c1cnn([C@@H]2CCCN(Cc3nccn3-c3ccccc3)C2)c(=O)c1.

What is the InChIKey of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one?

The InChIKey is CZWBRPGMDARXPF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N6O/c1-18(2)26(3)21-14-23(30)29(25-15-21)20-10-7-12-27(16-20)17-22-24-11-13-28(22)19-8-5-4-6-9-19/h4-6,8-9,11,13-15,18,20H,7,10,12,16-17H2,1-3H3/t20-/m1/s1.

What are the key properties of 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one?

5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 406.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 129323669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).