N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide

C25H30N6O5 — CID 142501046

About N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide

N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 142501046) has the molecular formula C25H30N6O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 142501046
• Molecular Formula: C25H30N6O5
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.23
• IUPAC Name: N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: Cn1ccn2ncc(C(=O)Nc3cc4c(cc3N3CCOCC3)C(=O)N(CCC(C)(C)O)C4)c2c1=O
• InChI: InChI=1S/C25H30N6O5/c1-25(2,35)4-5-30-15-16-12-19(20(13-17(16)23(30)33)29-8-10-36-11-9-29)27-22(32)18-14-26-31-7-6-28(3)24(34)21(18)31/h6-7,12-14,35H,4-5,8-11,15H2,1-3H3,(H,27,32)
• InChIKey: YRPHTTJOXKJAQR-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 121.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide (CID 142501046) is N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide is Cn1ccn2ncc(C(=O)Nc3cc4c(cc3N3CCOCC3)C(=O)N(CCC(C)(C)O)C4)c2c1=O.

What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is YRPHTTJOXKJAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5/c1-25(2,35)4-5-30-15-16-12-19(20(13-17(16)23(30)33)29-8-10-36-11-9-29)27-22(32)18-14-26-31-7-6-28(3)24(34)21(18)31/h6-7,12-14,35H,4-5,8-11,15H2,1-3H3,(H,27,32).

What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide?

N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-hydroxy-3-methylbutyl)-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]-5-methyl-4-oxopyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 142501046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).