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

C30H36N8O2S — CID 134539957

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

2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539957) has the molecular formula C30H36N8O2S and a molecular weight of 572.74 g/mol. Its IUPAC name is 2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539957
• Molecular Formula: C30H36N8O2S
• Molecular Weight: 572.74 g/mol
• Exact Mass: 572.27
• IUPAC Name: 2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@H]2C(=O)NC2CC2)c1
• InChI: InChI=1S/C30H36N8O2S/c1-4-36(5-2)19(3)17-31-29(39)20-15-24(34-27(16-20)37-12-11-25(37)30(40)33-21-8-9-21)22-18-32-38-13-10-23(35-28(22)38)26-7-6-14-41-26/h6-7,10,13-16,18-19,21,25H,4-5,8-9,11-12,17H2,1-3H3,(H,31,39)(H,33,40)/t19?,25-/m0/s1
• InChIKey: SEQMZMNISCRWLO-BIAFCPFJSA-N
• XLogP: 3.84
• TPSA: 107.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.74
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539957) is 2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

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

The canonical SMILES for 2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@H]2C(=O)NC2CC2)c1.

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

The InChIKey is SEQMZMNISCRWLO-BIAFCPFJSA-N. The full InChI is InChI=1S/C30H36N8O2S/c1-4-36(5-2)19(3)17-31-29(39)20-15-24(34-27(16-20)37-12-11-25(37)30(40)33-21-8-9-21)22-18-32-38-13-10-23(35-28(22)38)26-7-6-14-41-26/h6-7,10,13-16,18-19,21,25H,4-5,8-9,11-12,17H2,1-3H3,(H,31,39)(H,33,40)/t19?,25-/m0/s1.

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

2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 572.74 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).