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

C27H33N7O2S — CID 134540172

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

N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134540172) has the molecular formula C27H33N7O2S and a molecular weight of 519.68 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134540172
• Molecular Formula: C27H33N7O2S
• Molecular Weight: 519.68 g/mol
• Exact Mass: 519.24
• IUPAC Name: N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@@H](O)C2)c1
• InChI: InChI=1S/C27H33N7O2S/c1-4-32(5-2)18(3)15-28-27(36)19-13-23(30-25(14-19)33-10-8-20(35)17-33)21-16-29-34-11-9-22(31-26(21)34)24-7-6-12-37-24/h6-7,9,11-14,16,18,20,35H,4-5,8,10,15,17H2,1-3H3,(H,28,36)/t18-,20+/m0/s1
• InChIKey: LLAKAURGXWLFGH-AZUAARDMSA-N
• XLogP: 3.55
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.68
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134540172) is N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

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

The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@@H](O)C2)c1.

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

The InChIKey is LLAKAURGXWLFGH-AZUAARDMSA-N. The full InChI is InChI=1S/C27H33N7O2S/c1-4-32(5-2)18(3)15-28-27(36)19-13-23(30-25(14-19)33-10-8-20(35)17-33)21-16-29-34-11-9-22(31-26(21)34)24-7-6-12-37-24/h6-7,9,11-14,16,18,20,35H,4-5,8,10,15,17H2,1-3H3,(H,28,36)/t18-,20+/m0/s1.

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

N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 519.68 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134540172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).