2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H33N7O5S — CID 155735593

About 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155735593) has the molecular formula C26H33N7O5S and a molecular weight of 555.66 g/mol. Its IUPAC name is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 155735593
• Molecular Formula: C26H33N7O5S
• Molecular Weight: 555.66 g/mol
• Exact Mass: 555.23
• IUPAC Name: 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCCOCCNC(=O)c1c(N)nn2ccc(-c3cc4c(c(NS(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)nc12
• InChI: InChI=1S/C26H33N7O5S/c1-4-10-38-11-8-28-25(34)22-23(27)30-33-9-7-19(29-24(22)33)17-12-18-14-32(15(2)16-5-6-16)26(35)21(18)20(13-17)31-39(3,36)37/h7,9,12-13,15-16,31H,4-6,8,10-11,14H2,1-3H3,(H2,27,30)(H,28,34)/t15-/m0/s1
• InChIKey: RFMOWXBBCYGHCQ-HNNXBMFYSA-N
• XLogP: 2.26
• TPSA: 161.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.66
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155735593) is 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCOCCNC(=O)c1c(N)nn2ccc(-c3cc4c(c(NS(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)nc12.

What is the InChIKey of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RFMOWXBBCYGHCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H33N7O5S/c1-4-10-38-11-8-28-25(34)22-23(27)30-33-9-7-19(29-24(22)33)17-12-18-14-32(15(2)16-5-6-16)26(35)21(18)20(13-17)31-39(3,36)37/h7,9,12-13,15-16,31H,4-6,8,10-11,14H2,1-3H3,(H2,27,30)(H,28,34)/t15-/m0/s1.

What are the key properties of 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 555.66 g/mol, XLogP of 2.26, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]-N-(2-propoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155735593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).