N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25N7O4 — CID 129297762

About N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297762) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129297762
• Molecular Formula: C24H25N7O4
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.20
• IUPAC Name: N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CC[C@H](N2Cc3cc(NC(=O)c4cnn5cccnc45)c(N4CCOCC4)cc3C2=O)C1=O
• InChI: InChI=1S/C24H25N7O4/c1-28-6-3-19(24(28)34)30-14-15-11-18(20(12-16(15)23(30)33)29-7-9-35-10-8-29)27-22(32)17-13-26-31-5-2-4-25-21(17)31/h2,4-5,11-13,19H,3,6-10,14H2,1H3,(H,27,32)/t19-/m0/s1
• InChIKey: BAKVNALZYBPLPX-IBGZPJMESA-N
• XLogP: 1.00
• TPSA: 112.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
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-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297762) is N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC[C@H](N2Cc3cc(NC(=O)c4cnn5cccnc45)c(N4CCOCC4)cc3C2=O)C1=O.

What is the InChIKey of N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BAKVNALZYBPLPX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N7O4/c1-28-6-3-19(24(28)34)30-14-15-11-18(20(12-16(15)23(30)33)29-7-9-35-10-8-29)27-22(32)17-13-26-31-5-2-4-25-21(17)31/h2,4-5,11-13,19H,3,6-10,14H2,1H3,(H,27,32)/t19-/m0/s1.

What are the key properties of N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-morpholin-4-yl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).