6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

C22H34N6O — CID 126914181

About 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126914181) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 126914181
• Molecular Formula: C22H34N6O
• Molecular Weight: 398.56 g/mol
• Exact Mass: 398.28
• IUPAC Name: 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: CC(C)(C)c1ccc(=O)n(CCN2CCN(Cc3ncc4n3CCCC4)CC2)n1
• InChI: InChI=1S/C22H34N6O/c1-22(2,3)19-7-8-21(29)28(24-19)15-14-25-10-12-26(13-11-25)17-20-23-16-18-6-4-5-9-27(18)20/h7-8,16H,4-6,9-15,17H2,1-3H3
• InChIKey: RYGFQWORLVOBRS-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 59.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.56
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The IUPAC name of 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126914181) is 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.

What is the SMILES notation for 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The canonical SMILES for 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CCN2CCN(Cc3ncc4n3CCCC4)CC2)n1.

What is the InChIKey of 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The InChIKey is RYGFQWORLVOBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O/c1-22(2,3)19-7-8-21(29)28(24-19)15-14-25-10-12-26(13-11-25)17-20-23-16-18-6-4-5-9-27(18)20/h7-8,16H,4-6,9-15,17H2,1-3H3.

What are the key properties of 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 398.56 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126914181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).