N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide

C23H26N6O2S — CID 134574673

About N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide

N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide (PubChem CID 134574673) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide
• PubChem CID: 134574673
• Molecular Formula: C23H26N6O2S
• Molecular Weight: 450.57 g/mol
• Exact Mass: 450.18
• IUPAC Name: N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide
• SMILES: CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)[nH]c(=O)c1
• InChI: InChI=1S/C23H26N6O2S/c1-4-28(5-2)15(3)13-24-23(31)16-11-19(26-21(30)12-16)17-14-25-29-9-8-18(27-22(17)29)20-7-6-10-32-20/h6-12,14-15H,4-5,13H2,1-3H3,(H,24,31)(H,26,30)
• InChIKey: ORXBWFLZHRFION-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 95.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.57
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide (CID 134574673) is N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide.

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

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

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

The InChIKey is ORXBWFLZHRFION-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-4-28(5-2)15(3)13-24-23(31)16-11-19(26-21(30)12-16)17-14-25-29-9-8-18(27-22(17)29)20-7-6-10-32-20/h6-12,14-15H,4-5,13H2,1-3H3,(H,24,31)(H,26,30).

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

N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 134574673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).