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

C24H27FN6O4 — CID 146483045

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

N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146483045) has the molecular formula C24H27FN6O4 and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146483045
• Molecular Formula: C24H27FN6O4
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.21
• IUPAC Name: N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCNC3)cc2C1=O
• InChI: InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)13-30-12-14-8-18(19(9-16(14)23(30)33)35-15-4-6-26-10-15)29-22(32)17-11-28-31-7-3-5-27-21(17)31/h3,5,7-9,11,15,20,26,34H,4,6,10,12-13H2,1-2H3,(H,29,32)/t15-,20-/m1/s1
• InChIKey: URAGRJVUPHROAU-FOIQADDNSA-N
• XLogP: 1.79
• TPSA: 121.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146483045) is N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-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]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(O[C@@H]3CCNC3)cc2C1=O.

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

The InChIKey is URAGRJVUPHROAU-FOIQADDNSA-N. The full InChI is InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)13-30-12-14-8-18(19(9-16(14)23(30)33)35-15-4-6-26-10-15)29-22(32)17-11-28-31-7-3-5-27-21(17)31/h3,5,7-9,11,15,20,26,34H,4,6,10,12-13H2,1-2H3,(H,29,32)/t15-,20-/m1/s1.

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

N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[(3R)-pyrrolidin-3-yl]oxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146483045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).