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

C23H26FN5O4 — CID 137367907

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

N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137367907) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137367907
• Molecular Formula: C23H26FN5O4
• Molecular Weight: 455.49 g/mol
• Exact Mass: 455.20
• IUPAC Name: N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(O)c1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C[C@@H](F)C(C)(C)O)C2=O
• InChI: InChI=1S/C23H26FN5O4/c1-22(2,32)16-9-14-13(11-28(21(14)31)12-18(24)23(3,4)33)8-17(16)27-20(30)15-10-26-29-7-5-6-25-19(15)29/h5-10,18,32-33H,11-12H2,1-4H3,(H,27,30)/t18-/m1/s1
• InChIKey: JASJOGMZXGVHHF-GOSISDBHSA-N
• XLogP: 2.27
• TPSA: 120.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.49
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137367907) is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)c1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C[C@@H](F)C(C)(C)O)C2=O.

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

The InChIKey is JASJOGMZXGVHHF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26FN5O4/c1-22(2,32)16-9-14-13(11-28(21(14)31)12-18(24)23(3,4)33)8-17(16)27-20(30)15-10-26-29-7-5-6-25-19(15)29/h5-10,18,32-33H,11-12H2,1-4H3,(H,27,30)/t18-/m1/s1.

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

N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137367907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).