N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide

C37H53N7O6 — CID 143315140

About N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide

N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide (PubChem CID 143315140) has the molecular formula C37H53N7O6 and a molecular weight of 691.87 g/mol. Its IUPAC name is N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
• PubChem CID: 143315140
• Molecular Formula: C37H53N7O6
• Molecular Weight: 691.87 g/mol
• Exact Mass: 691.41
• IUPAC Name: N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
• SMILES: CC(C)[C@H]1CCN(C(=O)[C@@H](N2C(=O)[C@@H](NC(=O)c3cnccn3)C23CCCCC3)C(C)(C)C)[C@@H]1C(=O)NC(CC1CC1)C(=O)C(=O)NC1CC1
• InChI: InChI=1S/C37H53N7O6/c1-21(2)24-13-18-43(27(24)32(47)41-25(19-22-9-10-22)28(45)33(48)40-23-11-12-23)35(50)30(36(3,4)5)44-34(49)29(37(44)14-7-6-8-15-37)42-31(46)26-20-38-16-17-39-26/h16-17,20-25,27,29-30H,6-15,18-19H2,1-5H3,(H,40,48)(H,41,47)(H,42,46)/t24-,25?,27+,29-,30-/m1/s1
• InChIKey: QXNLFVBYLRZRKL-MDLJAQDQSA-N
• XLogP: 2.54
• TPSA: 170.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	691.87
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide (CID 143315140) is N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide is CC(C)[C@H]1CCN(C(=O)[C@@H](N2C(=O)[C@@H](NC(=O)c3cnccn3)C23CCCCC3)C(C)(C)C)[C@@H]1C(=O)NC(CC1CC1)C(=O)C(=O)NC1CC1.

What is the InChIKey of N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?

The InChIKey is QXNLFVBYLRZRKL-MDLJAQDQSA-N. The full InChI is InChI=1S/C37H53N7O6/c1-21(2)24-13-18-43(27(24)32(47)41-25(19-22-9-10-22)28(45)33(48)40-23-11-12-23)35(50)30(36(3,4)5)44-34(49)29(37(44)14-7-6-8-15-37)42-31(46)26-20-38-16-17-39-26/h16-17,20-25,27,29-30H,6-15,18-19H2,1-5H3,(H,40,48)(H,41,47)(H,42,46)/t24-,25?,27+,29-,30-/m1/s1.

What are the key properties of N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?

N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide has a molecular weight of 691.87 g/mol, XLogP of 2.54, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[(2S)-1-[(2S,3R)-2-[[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-oxo-1-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 143315140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).