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

C23H29N7O — CID 126915969

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

6-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126915969) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-pyridin-4-yl-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-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 126915969
• Molecular Formula: C23H29N7O
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.24
• IUPAC Name: 6-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: O=c1ccc(-c2ccncc2)nn1CCN1CCN(Cc2ncc3n2CCCC3)CC1
• InChI: InChI=1S/C23H29N7O/c31-23-5-4-21(19-6-8-24-9-7-19)26-30(23)16-15-27-11-13-28(14-12-27)18-22-25-17-20-3-1-2-10-29(20)22/h4-9,17H,1-3,10-16,18H2
• InChIKey: AKKSJCZMUFLEMY-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 72.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-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-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126915969) is 6-pyridin-4-yl-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-pyridin-4-yl-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-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CCN1CCN(Cc2ncc3n2CCCC3)CC1.

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

The InChIKey is AKKSJCZMUFLEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c31-23-5-4-21(19-6-8-24-9-7-19)26-30(23)16-15-27-11-13-28(14-12-27)18-22-25-17-20-3-1-2-10-29(20)22/h4-9,17H,1-3,10-16,18H2.

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

6-pyridin-4-yl-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 419.53 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-pyridin-4-yl-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 126915969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).