2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one

C22H23N5O3 — CID 126939925

About 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one

2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one (PubChem CID 126939925) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
• PubChem CID: 126939925
• Molecular Formula: C22H23N5O3
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.18
• IUPAC Name: 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
• SMILES: COc1cccc(-c2ccc(=O)n(C3COCC3Nc3cc4c(nn3)CCC4)n2)c1
• InChI: InChI=1S/C22H23N5O3/c1-29-16-6-2-4-14(10-16)18-8-9-22(28)27(26-18)20-13-30-12-19(20)23-21-11-15-5-3-7-17(15)24-25-21/h2,4,6,8-11,19-20H,3,5,7,12-13H2,1H3,(H,23,25)
• InChIKey: KRPQWUMCJFSFAO-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one?

The IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one (CID 126939925) is 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one.

What is the SMILES notation for 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one?

The canonical SMILES for 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one is COc1cccc(-c2ccc(=O)n(C3COCC3Nc3cc4c(nn3)CCC4)n2)c1.

What is the InChIKey of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one?

The InChIKey is KRPQWUMCJFSFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-16-6-2-4-14(10-16)18-8-9-22(28)27(26-18)20-13-30-12-19(20)23-21-11-15-5-3-7-17(15)24-25-21/h2,4,6,8-11,19-20H,3,5,7,12-13H2,1H3,(H,23,25).

What are the key properties of 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one?

2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one has a molecular weight of 405.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 126939925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).