3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

C26H31FN4OS — CID 158755502

About 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158755502) has the molecular formula C26H31FN4OS and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 158755502
• Molecular Formula: C26H31FN4OS
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.22
• IUPAC Name: 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1nc2sc(C(=O)NC[C@@H](C)c3ccc(N4CCCCC4)cc3C3CC3)c(N)c2cc1F
• InChI: InChI=1S/C26H31FN4OS/c1-15(14-29-25(32)24-23(28)21-13-22(27)16(2)30-26(21)33-24)19-9-8-18(12-20(19)17-6-7-17)31-10-4-3-5-11-31/h8-9,12-13,15,17H,3-7,10-11,14,28H2,1-2H3,(H,29,32)/t15-/m1/s1
• InChIKey: ZTOPWQVAKUEHIU-OAHLLOKOSA-N
• XLogP: 5.73
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 158755502) is 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NC[C@@H](C)c3ccc(N4CCCCC4)cc3C3CC3)c(N)c2cc1F.

What is the InChIKey of 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is ZTOPWQVAKUEHIU-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H31FN4OS/c1-15(14-29-25(32)24-23(28)21-13-22(27)16(2)30-26(21)33-24)19-9-8-18(12-20(19)17-6-7-17)31-10-4-3-5-11-31/h8-9,12-13,15,17H,3-7,10-11,14,28H2,1-2H3,(H,29,32)/t15-/m1/s1.

What are the key properties of 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(2S)-2-(2-cyclopropyl-4-piperidin-1-ylphenyl)propyl]-5-fluoro-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158755502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).