(4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C23H25N7O3 — CID 136758371

About (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136758371) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 136758371
• Molecular Formula: C23H25N7O3
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.20
• IUPAC Name: (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)ccc1OCC(C)C
• InChI: InChI=1S/C23H25N7O3/c1-13(2)12-33-18-6-5-15(9-19(18)32-4)16-10-22(31)25-23-17(16)11-24-30(23)21-8-7-20-27-26-14(3)29(20)28-21/h5-9,11,13,16H,10,12H2,1-4H3,(H,25,31)/t16-/m1/s1
• InChIKey: XMWFMPOLURCQIQ-MRXNPFEDSA-N
• XLogP: 3.14
• TPSA: 108.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136758371) is (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2ccc3nnc(C)n3n2)ccc1OCC(C)C.

What is the InChIKey of (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is XMWFMPOLURCQIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-13(2)12-33-18-6-5-15(9-19(18)32-4)16-10-22(31)25-23-17(16)11-24-30(23)21-8-7-20-27-26-14(3)29(20)28-21/h5-9,11,13,16H,10,12H2,1-4H3,(H,25,31)/t16-/m1/s1.

What are the key properties of (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

(4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 447.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136758371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).