1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide

C50H48N10O14 — CID 91309696

About 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide

1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 91309696) has the molecular formula C50H48N10O14 and a molecular weight of 1012.99 g/mol. Its IUPAC name is 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 91309696
• Molecular Formula: C50H48N10O14
• Molecular Weight: 1012.99 g/mol
• Exact Mass: 1012.34
• IUPAC Name: 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CC(COc5ccc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC(O)(O)C8=O)cc6)CC7(O)O)cc5)CCC4=O)cc2)CC3(O)O)cc1
• InChI: InChI=1S/C50H48N10O14/c1-73-34-16-12-32(13-17-34)59-41-37(39(53-59)43(51)62)50(71,72)26-58(45(41)64)31-10-6-29(7-11-31)56-23-27(3-20-36(56)61)24-74-35-18-14-33(15-19-35)60-42-38(40(54-60)44(52)63)49(69,70)25-57(46(42)65)30-8-4-28(5-9-30)55-22-2-21-48(67,68)47(55)66/h4-19,27,67-72H,2-3,20-26H2,1H3,(H2,51,62)(H2,52,63)
• InChIKey: QEMMWUBVLZAYOQ-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 342.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.99
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 91309696) is 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CC(COc5ccc(-n6nc(C(N)=O)c7c6C(=O)N(c6ccc(N8CCCC(O)(O)C8=O)cc6)CC7(O)O)cc5)CCC4=O)cc2)CC3(O)O)cc1.

What is the InChIKey of 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is QEMMWUBVLZAYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N10O14/c1-73-34-16-12-32(13-17-34)59-41-37(39(53-59)43(51)62)50(71,72)26-58(45(41)64)31-10-6-29(7-11-31)56-23-27(3-20-36(56)61)24-74-35-18-14-33(15-19-35)60-42-38(40(54-60)44(52)63)49(69,70)25-57(46(42)65)30-8-4-28(5-9-30)55-22-2-21-48(67,68)47(55)66/h4-19,27,67-72H,2-3,20-26H2,1H3,(H2,51,62)(H2,52,63).

What are the key properties of 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide?

1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 1012.99 g/mol, XLogP of 0.49, 12 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[1-[4-[3-carbamoyl-4,4-dihydroxy-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]-6-oxopiperidin-3-yl]methoxy]phenyl]-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-4,4-dihydroxy-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 91309696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).