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

C25H31N7OS2 — CID 134574408

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

N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134574408) has the molecular formula C25H31N7OS2 and a molecular weight of 509.71 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134574408
• Molecular Formula: C25H31N7OS2
• Molecular Weight: 509.71 g/mol
• Exact Mass: 509.20
• IUPAC Name: N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCSNc1cc(C(=O)NCC(C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1
• InChI: InChI=1S/C25H31N7OS2/c1-5-31(6-2)17(4)15-26-25(33)18-13-21(28-23(14-18)30-35-7-3)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-34-22/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,33)(H,28,30)
• InChIKey: RKXZKCBIWZACGP-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 87.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.71
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134574408) is N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-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-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCSNc1cc(C(=O)NCC(C)N(CC)CC)cc(-c2cnn3ccc(-c4cccs4)nc23)n1.

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

The InChIKey is RKXZKCBIWZACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7OS2/c1-5-31(6-2)17(4)15-26-25(33)18-13-21(28-23(14-18)30-35-7-3)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-34-22/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,33)(H,28,30).

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

N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 509.71 g/mol, XLogP of 5.06, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134574408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).