(7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

C26H32N4O5 — CID 167518176

About (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

(7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167518176) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 167518176
• Molecular Formula: C26H32N4O5
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.24
• IUPAC Name: (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• SMILES: Cn1c(C(=O)N2CCC3(CC3)C[C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)CO)cc2ccccc21
• InChI: InChI=1S/C26H32N4O5/c1-29-19-5-3-2-4-16(19)13-20(29)25(35)30-11-9-26(7-8-26)14-21(30)24(34)28-18(22(32)15-31)12-17-6-10-27-23(17)33/h2-5,13,17-18,21,31H,6-12,14-15H2,1H3,(H,27,33)(H,28,34)/t17-,18-,21-/m0/s1
• InChIKey: GIWCLZUESXXBCE-WFXMLNOXSA-N
• XLogP: 1.14
• TPSA: 120.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (CID 167518176) is (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is Cn1c(C(=O)N2CCC3(CC3)C[C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)CO)cc2ccccc21.

What is the InChIKey of (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is GIWCLZUESXXBCE-WFXMLNOXSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-29-19-5-3-2-4-16(19)13-20(29)25(35)30-11-9-26(7-8-26)14-21(30)24(34)28-18(22(32)15-31)12-17-6-10-27-23(17)33/h2-5,13,17-18,21,31H,6-12,14-15H2,1H3,(H,27,33)(H,28,34)/t17-,18-,21-/m0/s1.

What are the key properties of (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

(7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(1-methylindole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167518176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).