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

C26H33N7O3S2 — CID 134540200

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

N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134540200) has the molecular formula C26H33N7O3S2 and a molecular weight of 555.73 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134540200
• Molecular Formula: C26H33N7O3S2
• Molecular Weight: 555.73 g/mol
• Exact Mass: 555.21
• IUPAC Name: N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCCS2(O)O)c1
• InChI: InChI=1S/C26H33N7O3S2/c1-4-31(5-2)18(3)16-27-26(34)19-14-22(29-24(15-19)33-10-7-13-38(33,35)36)20-17-28-32-11-9-21(30-25(20)32)23-8-6-12-37-23/h6,8-9,11-12,14-15,17-18,35-36H,4-5,7,10,13,16H2,1-3H3,(H,27,34)
• InChIKey: AOZGAFFKZPVXPW-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 119.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.73
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134540200) is N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

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

The canonical SMILES for N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCCS2(O)O)c1.

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

The InChIKey is AOZGAFFKZPVXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3S2/c1-4-31(5-2)18(3)16-27-26(34)19-14-22(29-24(15-19)33-10-7-13-38(33,35)36)20-17-28-32-11-9-21(30-25(20)32)23-8-6-12-37-23/h6,8-9,11-12,14-15,17-18,35-36H,4-5,7,10,13,16H2,1-3H3,(H,27,34).

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

N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 555.73 g/mol, XLogP of 4.86, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)propyl]-2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134540200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).