3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C22H22IN3O3 — CID 59016561

About 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 59016561) has the molecular formula C22H22IN3O3 and a molecular weight of 503.34 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• PubChem CID: 59016561
• Molecular Formula: C22H22IN3O3
• Molecular Weight: 503.34 g/mol
• Exact Mass: 503.07
• IUPAC Name: 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(C(C)(C)O)c3c2C(=O)N(c2ccc(I)cc2)CC3)cc1
• InChI: InChI=1S/C22H22IN3O3/c1-22(2,28)20-18-12-13-25(15-6-4-14(23)5-7-15)21(27)19(18)26(24-20)16-8-10-17(29-3)11-9-16/h4-11,28H,12-13H2,1-3H3
• InChIKey: RFAZCJLYFWBFQV-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 67.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.34
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The IUPAC name of 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 59016561) is 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The canonical SMILES for 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(C)(C)O)c3c2C(=O)N(c2ccc(I)cc2)CC3)cc1.

What is the InChIKey of 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

The InChIKey is RFAZCJLYFWBFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IN3O3/c1-22(2,28)20-18-12-13-25(15-6-4-14(23)5-7-15)21(27)19(18)26(24-20)16-8-10-17(29-3)11-9-16/h4-11,28H,12-13H2,1-3H3.

What are the key properties of 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?

3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 503.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-hydroxypropan-2-yl)-6-(4-iodophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 59016561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).