6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide

C31H41N7O3 — CID 123354518

About 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide

6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 123354518) has the molecular formula C31H41N7O3 and a molecular weight of 559.72 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 123354518
• Molecular Formula: C31H41N7O3
• Molecular Weight: 559.72 g/mol
• Exact Mass: 559.33
• IUPAC Name: 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide
• SMILES: Cc1cc2nn(CC(=O)N3CCC(N4CCCC4)CC3)cc2cc1NC(=O)c1cccc(N2CC(C)OC(C)C2)n1
• InChI: InChI=1S/C31H41N7O3/c1-21-15-28-24(19-38(34-28)20-30(39)36-13-9-25(10-14-36)35-11-4-5-12-35)16-27(21)33-31(40)26-7-6-8-29(32-26)37-17-22(2)41-23(3)18-37/h6-8,15-16,19,22-23,25H,4-5,9-14,17-18,20H2,1-3H3,(H,33,40)
• InChIKey: NRKBJEKAHBHWOK-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 95.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.72
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide (CID 123354518) is 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide is Cc1cc2nn(CC(=O)N3CCC(N4CCCC4)CC3)cc2cc1NC(=O)c1cccc(N2CC(C)OC(C)C2)n1.

What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?

The InChIKey is NRKBJEKAHBHWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O3/c1-21-15-28-24(19-38(34-28)20-30(39)36-13-9-25(10-14-36)35-11-4-5-12-35)16-27(21)33-31(40)26-7-6-8-29(32-26)37-17-22(2)41-23(3)18-37/h6-8,15-16,19,22-23,25H,4-5,9-14,17-18,20H2,1-3H3,(H,33,40).

What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide?

6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 559.72 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dimethylmorpholin-4-yl)-N-[6-methyl-2-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123354518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).