2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C26H32N8O2S — CID 134539713

About 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539713) has the molecular formula C26H32N8O2S and a molecular weight of 520.66 g/mol. Its IUPAC name is 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539713
• Molecular Formula: C26H32N8O2S
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.24
• IUPAC Name: 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)[C@@H](C)CNC(=O)c1cc(N[C@H](C)C(N)=O)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C26H32N8O2S/c1-5-33(6-2)16(3)14-28-26(36)18-12-21(31-23(13-18)30-17(4)24(27)35)19-15-29-34-10-9-20(32-25(19)34)22-8-7-11-37-22/h7-13,15-17H,5-6,14H2,1-4H3,(H2,27,35)(H,28,36)(H,30,31)/t16-,17+/m0/s1
• InChIKey: TXIRHEQKUNLPTG-DLBZAZTESA-N
• XLogP: 3.27
• TPSA: 130.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The IUPAC name of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539713) is 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

What is the SMILES notation for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(N[C@H](C)C(N)=O)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.

What is the InChIKey of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The InChIKey is TXIRHEQKUNLPTG-DLBZAZTESA-N. The full InChI is InChI=1S/C26H32N8O2S/c1-5-33(6-2)16(3)14-28-26(36)18-12-21(31-23(13-18)30-17(4)24(27)35)19-15-29-34-10-9-20(32-25(19)34)22-8-7-11-37-22/h7-13,15-17H,5-6,14H2,1-4H3,(H2,27,35)(H,28,36)(H,30,31)/t16-,17+/m0/s1.

What are the key properties of 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 520.66 g/mol, XLogP of 3.27, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).