N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H32FN7O4 — CID 146483214

About N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146483214) has the molecular formula C28H32FN7O4 and a molecular weight of 549.61 g/mol. Its IUPAC name is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146483214
• Molecular Formula: C28H32FN7O4
• Molecular Weight: 549.61 g/mol
• Exact Mass: 549.25
• IUPAC Name: N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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(N3CCN(C(=O)C4CC4)CC3)cc2C1=O
• InChI: InChI=1S/C28H32FN7O4/c1-28(2,40)23(29)16-35-15-18-12-21(32-25(37)20-14-31-36-7-3-6-30-24(20)36)22(13-19(18)27(35)39)33-8-10-34(11-9-33)26(38)17-4-5-17/h3,6-7,12-14,17,23,40H,4-5,8-11,15-16H2,1-2H3,(H,32,37)
• InChIKey: AYWWYKWNXJTAOG-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 123.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.61
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146483214) is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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(N3CCN(C(=O)C4CC4)CC3)cc2C1=O.

What is the InChIKey of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AYWWYKWNXJTAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O4/c1-28(2,40)23(29)16-35-15-18-12-21(32-25(37)20-14-31-36-7-3-6-30-24(20)36)22(13-19(18)27(35)39)33-8-10-34(11-9-33)26(38)17-4-5-17/h3,6-7,12-14,17,23,40H,4-5,8-11,15-16H2,1-2H3,(H,32,37).

What are the key properties of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-fluoro-3-hydroxy-3-methylbutyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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 549.61 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-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 146483214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).