3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C24H24N4O2S — CID 95821253

About 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 95821253) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 95821253
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cn(C(C)=O)c3ccccc23)C1
• InChI: InChI=1S/C24H24N4O2S/c1-15(29)28-14-17(18-6-3-4-8-20(18)28)13-27-11-9-16(12-27)21-19-7-5-10-26-24(19)31-22(21)23(30)25-2/h3-8,10,14,16H,9,11-13H2,1-2H3,(H,25,30)/t16-/m1/s1
• InChIKey: WKBSYPSINQRZSJ-MRXNPFEDSA-N
• XLogP: 4.26
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 95821253) is 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cn(C(C)=O)c3ccccc23)C1.

What is the InChIKey of 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is WKBSYPSINQRZSJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15(29)28-14-17(18-6-3-4-8-20(18)28)13-27-11-9-16(12-27)21-19-7-5-10-26-24(19)31-22(21)23(30)25-2/h3-8,10,14,16H,9,11-13H2,1-2H3,(H,25,30)/t16-/m1/s1.

What are the key properties of 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?

3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 95821253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).