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

C24H26FN5O5 — CID 146483094

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

N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146483094) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146483094
• Molecular Formula: C24H26FN5O5
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.19
• IUPAC Name: N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-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(O)C3)cc2C1=O
• InChI: InChI=1S/C24H26FN5O5/c1-24(2,34)20(25)12-29-11-13-6-18(19(9-16(13)23(29)33)35-15-7-14(31)8-15)28-22(32)17-10-27-30-5-3-4-26-21(17)30/h3-6,9-10,14-15,20,31,34H,7-8,11-12H2,1-2H3,(H,28,32)
• InChIKey: ZCBSPXBXHKRCAW-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 129.29 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	483.50
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146483094) is N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-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(O)C3)cc2C1=O.

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

The InChIKey is ZCBSPXBXHKRCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-24(2,34)20(25)12-29-11-13-6-18(19(9-16(13)23(29)33)35-15-7-14(31)8-15)28-22(32)17-10-27-30-5-3-4-26-21(17)30/h3-6,9-10,14-15,20,31,34H,7-8,11-12H2,1-2H3,(H,28,32).

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

N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(3-hydroxycyclobutyl)oxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146483094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).