N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25F2N5O4 — CID 146483184

About N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146483184) has the molecular formula C24H25F2N5O4 and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146483184
• Molecular Formula: C24H25F2N5O4
• Molecular Weight: 485.49 g/mol
• Exact Mass: 485.19
• IUPAC Name: N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(O)C(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CC(F)C3)cc2C1=O
• InChI: InChI=1S/C24H25F2N5O4/c1-24(2,34)20(26)12-30-11-13-6-18(19(9-16(13)23(30)33)35-15-7-14(25)8-15)29-22(32)17-10-28-31-5-3-4-27-21(17)31/h3-6,9-10,14-15,20,34H,7-8,11-12H2,1-2H3,(H,29,32)
• InChIKey: ZEVVNHYHAFICSM-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 109.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.49
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146483184) is N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)C(F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(OC3CC(F)C3)cc2C1=O.

What is the InChIKey of N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZEVVNHYHAFICSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O4/c1-24(2,34)20(26)12-30-11-13-6-18(19(9-16(13)23(30)33)35-15-7-14(25)8-15)29-22(32)17-10-28-31-5-3-4-27-21(17)31/h3-6,9-10,14-15,20,34H,7-8,11-12H2,1-2H3,(H,29,32).

What are the key properties of N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(3-fluorocyclobutyl)oxy-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146483184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).