3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

C25H26N4O3S — CID 125003964

About 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 125003964) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 125003964
• Molecular Formula: C25H26N4O3S
• Molecular Weight: 462.58 g/mol
• Exact Mass: 462.17
• IUPAC Name: 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC(=O)n1cc(CN2CCO[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c2ccccc21
• InChI: InChI=1S/C25H26N4O3S/c1-16(30)29-14-17(18-7-4-5-9-20(18)29)13-28-11-12-32-21(15-28)22-19-8-6-10-26-24(19)33-23(22)25(31)27(2)3/h4-10,14,21H,11-13,15H2,1-3H3/t21-/m0/s1
• InChIKey: SVFNHXNUJSKAJF-NRFANRHFSA-N
• XLogP: 4.19
• TPSA: 67.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.58
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 125003964) is 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is CC(=O)n1cc(CN2CCO[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c2ccccc21.

What is the InChIKey of 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is SVFNHXNUJSKAJF-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-16(30)29-14-17(18-7-4-5-9-20(18)29)13-28-11-12-32-21(15-28)22-19-8-6-10-26-24(19)33-23(22)25(31)27(2)3/h4-10,14,21H,11-13,15H2,1-3H3/t21-/m0/s1.

What are the key properties of 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide?

3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 125003964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).