3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide

C51H52I3N9O8 — CID 157057905

About 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide

3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide (PubChem CID 157057905) has the molecular formula C51H52I3N9O8 and a molecular weight of 1299.74 g/mol. Its IUPAC name is 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide.

Molecular Properties

• Compound Name: 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide
• PubChem CID: 157057905
• Molecular Formula: C51H52I3N9O8
• Molecular Weight: 1299.74 g/mol
• Exact Mass: 1299.11
• IUPAC Name: 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide
• SMILES: CC(=O)c1nn(-c2ccc(CO)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.I.II.NC(=O)c1nn(-c2ccc(CO)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O
• InChI: InChI=1S/C26H26N4O4.C25H25N5O4.I2.HI/c1-17(32)24-22-13-15-29(20-11-9-19(10-12-20)28-14-3-2-4-23(28)33)26(34)25(22)30(27-24)21-7-5-18(16-31)6-8-21;26-24(33)22-20-12-14-29(18-10-8-17(9-11-18)28-13-2-1-3-21(28)32)25(34)23(20)30(27-22)19-6-4-16(15-31)5-7-19;1-2;/h5-12,31H,2-4,13-16H2,1H3;4-11,31H,1-3,12-15H2,(H2,26,33);;1H
• InChIKey: QYCLQJZXNIULOX-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 217.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.74
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide?

The IUPAC name of 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide (CID 157057905) is 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide.

What is the SMILES notation for 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide?

The canonical SMILES for 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide is CC(=O)c1nn(-c2ccc(CO)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.I.II.NC(=O)c1nn(-c2ccc(CO)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O.

What is the InChIKey of 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide?

The InChIKey is QYCLQJZXNIULOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4.C25H25N5O4.I2.HI/c1-17(32)24-22-13-15-29(20-11-9-19(10-12-20)28-14-3-2-4-23(28)33)26(34)25(22)30(27-24)21-7-5-18(16-31)6-8-21;26-24(33)22-20-12-14-29(18-10-8-17(9-11-18)28-13-2-1-3-21(28)32)25(34)23(20)30(27-22)19-6-4-16(15-31)5-7-19;1-2;/h5-12,31H,2-4,13-16H2,1H3;4-11,31H,1-3,12-15H2,(H2,26,33);;1H.

What are the key properties of 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide?

3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide has a molecular weight of 1299.74 g/mol, XLogP of 7.86, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-1-[4-(hydroxymethyl)phenyl]-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-[4-(hydroxymethyl)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;molecular iodine;hydroiodide is sourced from PubChem (CID 157057905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).