6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid

C27H28N8O4 — CID 159698795

About 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid

6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid (PubChem CID 159698795) has the molecular formula C27H28N8O4 and a molecular weight of 528.57 g/mol. Its IUPAC name is 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid.

Molecular Properties

• Compound Name: 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid
• PubChem CID: 159698795
• Molecular Formula: C27H28N8O4
• Molecular Weight: 528.57 g/mol
• Exact Mass: 528.22
• IUPAC Name: 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid
• SMILES: C[C@@H]1CN(Cc2cccc(C(=O)Nc3cc(-c4cnc5[nH]ncc5c4)cc4[nH]ncc34)n2)C[C@H](C)O1.O=CO
• InChI: InChI=1S/C26H26N8O2.CH2O2/c1-15-12-34(13-16(2)36-15)14-20-4-3-5-22(30-20)26(35)31-23-7-17(8-24-21(23)11-29-32-24)18-6-19-10-28-33-25(19)27-9-18;2-1-3/h3-11,15-16H,12-14H2,1-2H3,(H,29,32)(H,31,35)(H,27,28,33);1H,(H,2,3)/t15-,16+
• InChIKey: MXIVXKJMONPJAZ-FAESNJTISA-N
• XLogP: 3.46
• TPSA: 162.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.57
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid?

The IUPAC name of 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid (CID 159698795) is 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid.

What is the SMILES notation for 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid?

The canonical SMILES for 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid is C[C@@H]1CN(Cc2cccc(C(=O)Nc3cc(-c4cnc5[nH]ncc5c4)cc4[nH]ncc34)n2)C[C@H](C)O1.O=CO.

What is the InChIKey of 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid?

The InChIKey is MXIVXKJMONPJAZ-FAESNJTISA-N. The full InChI is InChI=1S/C26H26N8O2.CH2O2/c1-15-12-34(13-16(2)36-15)14-20-4-3-5-22(30-20)26(35)31-23-7-17(8-24-21(23)11-29-32-24)18-6-19-10-28-33-25(19)27-9-18;2-1-3/h3-11,15-16H,12-14H2,1-2H3,(H,29,32)(H,31,35)(H,27,28,33);1H,(H,2,3)/t15-,16+;.

What are the key properties of 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid?

6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid has a molecular weight of 528.57 g/mol, XLogP of 3.46, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-indazol-4-yl]pyridine-2-carboxamide;formic acid is sourced from PubChem (CID 159698795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).