6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

C61H76N14O5 — CID 123768943

About 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 123768943) has the molecular formula C61H76N14O5 and a molecular weight of 1085.37 g/mol. Its IUPAC name is 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 123768943
• Molecular Formula: C61H76N14O5
• Molecular Weight: 1085.37 g/mol
• Exact Mass: 1084.61
• IUPAC Name: 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(CNCCCN(C)C)c3)nc3c2cnn3C(C)CCC(C)n2ncc3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4cccc(CNCCN5CCOCC5)c4)nc32)c(=O)[nH]1
• InChI: InChI=1S/C61H76N14O5/c1-38-26-40(3)68-60(78)50(38)34-64-58(76)48-30-54(46-14-9-12-44(28-46)32-62-18-11-20-72(7)8)70-56-52(48)36-66-74(56)42(5)16-17-43(6)75-57-53(37-67-75)49(59(77)65-35-51-39(2)27-41(4)69-61(51)79)31-55(71-57)47-15-10-13-45(29-47)33-63-19-21-73-22-24-80-25-23-73/h9-10,12-15,26-31,36-37,42-43,62-63H,11,16-25,32-35H2,1-8H3,(H,64,76)(H,65,77)(H,68,78)(H,69,79)
• InChIKey: ZGSCYCDPMKAYNY-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 225.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1085.37
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 123768943) is 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3cccc(CNCCCN(C)C)c3)nc3c2cnn3C(C)CCC(C)n2ncc3c(C(=O)NCc4c(C)cc(C)[nH]c4=O)cc(-c4cccc(CNCCN5CCOCC5)c4)nc32)c(=O)[nH]1.

What is the InChIKey of 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is ZGSCYCDPMKAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H76N14O5/c1-38-26-40(3)68-60(78)50(38)34-64-58(76)48-30-54(46-14-9-12-44(28-46)32-62-18-11-20-72(7)8)70-56-52(48)36-66-74(56)42(5)16-17-43(6)75-57-53(37-67-75)49(59(77)65-35-51-39(2)27-41(4)69-61(51)79)31-55(71-57)47-15-10-13-45(29-47)33-63-19-21-73-22-24-80-25-23-73/h9-10,12-15,26-31,36-37,42-43,62-63H,11,16-25,32-35H2,1-8H3,(H,64,76)(H,65,77)(H,68,78)(H,69,79).

What are the key properties of 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?

6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 1085.37 g/mol, XLogP of 7.05, 24 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[3-(dimethylamino)propylamino]methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]pyrazolo[5,4-b]pyridin-1-yl]hexan-2-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 123768943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).