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

C28H34N6O3S — CID 134539500

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

N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539500) has the molecular formula C28H34N6O3S and a molecular weight of 534.69 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539500
• Molecular Formula: C28H34N6O3S
• Molecular Weight: 534.69 g/mol
• Exact Mass: 534.24
• IUPAC Name: N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)[C@@H](C)CNC(=O)c1cc(OC[C@H]2CCCO2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C28H34N6O3S/c1-4-33(5-2)19(3)16-29-28(35)20-14-24(31-26(15-20)37-18-21-8-6-12-36-21)22-17-30-34-11-10-23(32-27(22)34)25-9-7-13-38-25/h7,9-11,13-15,17,19,21H,4-6,8,12,16,18H2,1-3H3,(H,29,35)/t19-,21+/m0/s1
• InChIKey: UJQJIHQKOODSQK-PZJWPPBQSA-N
• XLogP: 4.54
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.69
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539500) is N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-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-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(OC[C@H]2CCCO2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.

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

The InChIKey is UJQJIHQKOODSQK-PZJWPPBQSA-N. The full InChI is InChI=1S/C28H34N6O3S/c1-4-33(5-2)19(3)16-29-28(35)20-14-24(31-26(15-20)37-18-21-8-6-12-36-21)22-17-30-34-11-10-23(32-27(22)34)25-9-7-13-38-25/h7,9-11,13-15,17,19,21H,4-6,8,12,16,18H2,1-3H3,(H,29,35)/t19-,21+/m0/s1.

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

N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 534.69 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(diethylamino)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).