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

C27H32N6O3S — CID 134539727

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

N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539727) has the molecular formula C27H32N6O3S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539727
• Molecular Formula: C27H32N6O3S
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.23
• IUPAC Name: N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)C(C)CNC(=O)c1cc(OC2CCOC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C27H32N6O3S/c1-4-32(5-2)18(3)15-28-27(34)19-13-23(30-25(14-19)36-20-9-11-35-17-20)21-16-29-33-10-8-22(31-26(21)33)24-7-6-12-37-24/h6-8,10,12-14,16,18,20H,4-5,9,11,15,17H2,1-3H3,(H,28,34)
• InChIKey: YKKSRQQADRNDHX-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539727) is N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-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-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(OC2CCOC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.

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

The InChIKey is YKKSRQQADRNDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3S/c1-4-32(5-2)18(3)15-28-27(34)19-13-23(30-25(14-19)36-20-9-11-35-17-20)21-16-29-33-10-8-22(31-26(21)33)24-7-6-12-37-24/h6-8,10,12-14,16,18,20H,4-5,9,11,15,17H2,1-3H3,(H,28,34).

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

N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-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 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)propyl]-2-(oxolan-3-yloxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).