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

C22H23N7OS — CID 134574578

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

N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134574578) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134574578
• Molecular Formula: C22H23N7OS
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.17
• IUPAC Name: N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CC(N)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC2)c1
• InChI: InChI=1S/C22H23N7OS/c1-14(23)12-24-22(30)15-10-18(26-20(11-15)28-6-3-7-28)16-13-25-29-8-5-17(27-21(16)29)19-4-2-9-31-19/h2,4-5,8-11,13-14H,3,6-7,12,23H2,1H3,(H,24,30)
• InChIKey: RBOWDRKUIHBRGZ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 101.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134574578) is N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

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

The canonical SMILES for N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CC(N)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC2)c1.

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

The InChIKey is RBOWDRKUIHBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-14(23)12-24-22(30)15-10-18(26-20(11-15)28-6-3-7-28)16-13-25-29-8-5-17(27-21(16)29)19-4-2-9-31-19/h2,4-5,8-11,13-14H,3,6-7,12,23H2,1H3,(H,24,30).

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

N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminopropyl)-2-(azetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134574578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).