2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21F3N6O2 — CID 155383554

About 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155383554) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 155383554
• Molecular Formula: C22H21F3N6O2
• Molecular Weight: 458.44 g/mol
• Exact Mass: 458.17
• IUPAC Name: 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC(=O)c1c(N)nn2ccc(-c3cc4c(c(C(F)(F)F)c3)C(=O)N([C@@H](C)C3CC3)C4)nc12
• InChI: InChI=1S/C22H21F3N6O2/c1-10(11-3-4-11)30-9-13-7-12(8-14(22(23,24)25)16(13)21(30)33)15-5-6-31-19(28-15)17(18(26)29-31)20(32)27-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,26,29)(H,27,32)/t10-/m0/s1
• InChIKey: PRYREIKGGKSKNS-JTQLQIEISA-N
• XLogP: 3.11
• TPSA: 105.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.44
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155383554) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1c(N)nn2ccc(-c3cc4c(c(C(F)(F)F)c3)C(=O)N([C@@H](C)C3CC3)C4)nc12.

What is the InChIKey of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PRYREIKGGKSKNS-JTQLQIEISA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-10(11-3-4-11)30-9-13-7-12(8-14(22(23,24)25)16(13)21(30)33)15-5-6-31-19(28-15)17(18(26)29-31)20(32)27-2/h5-8,10-11H,3-4,9H2,1-2H3,(H2,26,29)(H,27,32)/t10-/m0/s1.

What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155383554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).