6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen

C23H26FN7S — CID 159414488

About 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen

6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen (PubChem CID 159414488) has the molecular formula C23H26FN7S and a molecular weight of 451.58 g/mol. Its IUPAC name is 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen
• PubChem CID: 159414488
• Molecular Formula: C23H26FN7S
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.20
• IUPAC Name: 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen
• SMILES: Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3cnc4ccccc4c3)n2)n[nH]1.[H][H].[H][H]
• InChI: InChI=1S/C23H22FN7S.2H2/c1-14-8-20(30-29-14)26-19-10-21(31-12-23(24,13-31)16-6-7-16)28-22(27-19)32-17-9-15-4-2-3-5-18(15)25-11-17;;/h2-5,8-11,16H,6-7,12-13H2,1H3,(H2,26,27,28,29,30);2*1H
• InChIKey: LOZKGJBXLLJLKZ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen?

The IUPAC name of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen (CID 159414488) is 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen is Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3cnc4ccccc4c3)n2)n[nH]1.[H][H].[H][H].

What is the InChIKey of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen?

The InChIKey is LOZKGJBXLLJLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7S.2H2/c1-14-8-20(30-29-14)26-19-10-21(31-12-23(24,13-31)16-6-7-16)28-22(27-19)32-17-9-15-4-2-3-5-18(15)25-11-17;;/h2-5,8-11,16H,6-7,12-13H2,1H3,(H2,26,27,28,29,30);2*1H.

What are the key properties of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen?

6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 451.58 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-quinolin-3-ylsulfanylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 159414488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).