2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

C23H22F3N9 — CID 67454779

About 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile

2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (PubChem CID 67454779) has the molecular formula C23H22F3N9 and a molecular weight of 481.49 g/mol. Its IUPAC name is 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

• Compound Name: 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
• PubChem CID: 67454779
• Molecular Formula: C23H22F3N9
• Molecular Weight: 481.49 g/mol
• Exact Mass: 481.20
• IUPAC Name: 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
• SMILES: N#CCC1(n2cc(-c3nc(-c4cnn(C5CCC5)c4)cc4nccn34)cn2)CN(CC(F)(F)F)C1
• InChI: InChI=1S/C23H22F3N9/c24-23(25,26)15-32-13-22(14-32,4-5-27)35-12-17(10-30-35)21-31-19(8-20-28-6-7-33(20)21)16-9-29-34(11-16)18-2-1-3-18/h6-12,18H,1-4,13-15H2
• InChIKey: KCAPCWFVHXBKOB-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 92.86 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.49
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?

The IUPAC name of 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile (CID 67454779) is 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile.

What is the SMILES notation for 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?

The canonical SMILES for 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is N#CCC1(n2cc(-c3nc(-c4cnn(C5CCC5)c4)cc4nccn34)cn2)CN(CC(F)(F)F)C1.

What is the InChIKey of 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?

The InChIKey is KCAPCWFVHXBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N9/c24-23(25,26)15-32-13-22(14-32,4-5-27)35-12-17(10-30-35)21-31-19(8-20-28-6-7-33(20)21)16-9-29-34(11-16)18-2-1-3-18/h6-12,18H,1-4,13-15H2.

What are the key properties of 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile?

2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile has a molecular weight of 481.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[7-(1-cyclobutylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 67454779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).