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

C25H25F3N6O2 — CID 155384144

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

2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155384144) has the molecular formula C25H25F3N6O2 and a molecular weight of 498.51 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 155384144
• Molecular Formula: C25H25F3N6O2
• Molecular Weight: 498.51 g/mol
• Exact Mass: 498.20
• IUPAC Name: 2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CCC5)c4n3)cc(C(F)(F)F)c2C1=O
• InChI: InChI=1S/C25H25F3N6O2/c1-12(13-5-6-13)33-11-15-9-14(10-17(25(26,27)28)19(15)24(33)36)18-7-8-34-22(31-18)20(21(29)32-34)23(35)30-16-3-2-4-16/h7-10,12-13,16H,2-6,11H2,1H3,(H2,29,32)(H,30,35)
• InChIKey: KMJLMQJWGNHMEX-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 105.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.51
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155384144) is 2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C1CC1)N1Cc2cc(-c3ccn4nc(N)c(C(=O)NC5CCC5)c4n3)cc(C(F)(F)F)c2C1=O.

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

The InChIKey is KMJLMQJWGNHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O2/c1-12(13-5-6-13)33-11-15-9-14(10-17(25(26,27)28)19(15)24(33)36)18-7-8-34-22(31-18)20(21(29)32-34)23(35)30-16-3-2-4-16/h7-10,12-13,16H,2-6,11H2,1H3,(H2,29,32)(H,30,35).

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

2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-cyclobutyl-5-[2-(1-cyclopropylethyl)-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155384144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).