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

C28H32N8OS — CID 134539544

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

N-[(2S)-2-(diethylamino)propyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539544) has the molecular formula C28H32N8OS and a molecular weight of 528.69 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539544
• Molecular Formula: C28H32N8OS
• Molecular Weight: 528.69 g/mol
• Exact Mass: 528.24
• IUPAC Name: N-[(2S)-2-(diethylamino)propyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2c(C)n[nH]c2C)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C28H32N8OS/c1-6-35(7-2)17(3)15-29-28(37)20-13-23(31-24(14-20)26-18(4)33-34-19(26)5)21-16-30-36-11-10-22(32-27(21)36)25-9-8-12-38-25/h8-14,16-17H,6-7,15H2,1-5H3,(H,29,37)(H,33,34)/t17-/m0/s1
• InChIKey: NFEPUKQBJQFUPV-KRWDZBQOSA-N
• XLogP: 4.99
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.69
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539544) is N-[(2S)-2-(diethylamino)propyl]-2-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2c(C)n[nH]c2C)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.

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

The InChIKey is NFEPUKQBJQFUPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H32N8OS/c1-6-35(7-2)17(3)15-29-28(37)20-13-23(31-24(14-20)26-18(4)33-34-19(26)5)21-16-30-36-11-10-22(32-27(21)36)25-9-8-12-38-25/h8-14,16-17H,6-7,15H2,1-5H3,(H,29,37)(H,33,34)/t17-/m0/s1.

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

N-[(2S)-2-(diethylamino)propyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 528.69 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(diethylamino)propyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).