2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C23H28N6O — CID 126938090

About 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126938090) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• PubChem CID: 126938090
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• SMILES: O=c1cc2c(nn1CCN1CCCCC1CNc1nncc3ccccc13)CCC2
• InChI: InChI=1S/C23H28N6O/c30-22-14-17-7-5-10-21(17)27-29(22)13-12-28-11-4-3-8-19(28)16-24-23-20-9-2-1-6-18(20)15-25-26-23/h1-2,6,9,14-15,19H,3-5,7-8,10-13,16H2,(H,24,26)
• InChIKey: PXNNGANYKLRSOH-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The IUPAC name of 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126938090) is 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

What is the SMILES notation for 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The canonical SMILES for 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CCN1CCCCC1CNc1nncc3ccccc13)CCC2.

What is the InChIKey of 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The InChIKey is PXNNGANYKLRSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c30-22-14-17-7-5-10-21(17)27-29(22)13-12-28-11-4-3-8-19(28)16-24-23-20-9-2-1-6-18(20)15-25-26-23/h1-2,6,9,14-15,19H,3-5,7-8,10-13,16H2,(H,24,26).

What are the key properties of 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 404.52 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(phthalazin-1-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126938090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).