5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one

C27H27N5O2 — CID 108732196

About 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one

5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one (PubChem CID 108732196) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one
• PubChem CID: 108732196
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one
• SMILES: CC(C)(C)n1ncc2c1CCN(C(=O)c1c(-c3ccccc3)c(-c3ccccc3)n[nH]c1=O)C2
• InChI: InChI=1S/C27H27N5O2/c1-27(2,3)32-21-14-15-31(17-20(21)16-28-32)26(34)23-22(18-10-6-4-7-11-18)24(29-30-25(23)33)19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H,30,33)
• InChIKey: MZZSTAXUUOMHFI-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one?

The IUPAC name of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one (CID 108732196) is 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one.

What is the SMILES notation for 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one?

The canonical SMILES for 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one is CC(C)(C)n1ncc2c1CCN(C(=O)c1c(-c3ccccc3)c(-c3ccccc3)n[nH]c1=O)C2.

What is the InChIKey of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one?

The InChIKey is MZZSTAXUUOMHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-27(2,3)32-21-14-15-31(17-20(21)16-28-32)26(34)23-22(18-10-6-4-7-11-18)24(29-30-25(23)33)19-12-8-5-9-13-19/h4-13,16H,14-15,17H2,1-3H3,(H,30,33).

What are the key properties of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one?

5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one has a molecular weight of 453.55 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one is sourced from PubChem (CID 108732196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).