(5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C24H25N5O7 — CID 70889704

About (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 70889704) has the molecular formula C24H25N5O7 and a molecular weight of 495.49 g/mol. Its IUPAC name is (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 70889704
• Molecular Formula: C24H25N5O7
• Molecular Weight: 495.49 g/mol
• Exact Mass: 495.18
• IUPAC Name: (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3nc(N4C(=O)CC[C@@H]4CO)ccc3OC)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H25N5O7/c1-35-15-5-3-13-10-28(21(32)16(13)9-15)12-24(22(33)26-23(34)27-24)20-17(36-2)6-7-18(25-20)29-14(11-30)4-8-19(29)31/h3,5-7,9,14,30H,4,8,10-12H2,1-2H3,(H2,26,27,33,34)/t14-,24+/m1/s1
• InChIKey: JLEXYJJWUUXRQG-SHACYNPGSA-N
• XLogP: 0.28
• TPSA: 150.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.49
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 70889704) is (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3nc(N4C(=O)CC[C@@H]4CO)ccc3OC)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is JLEXYJJWUUXRQG-SHACYNPGSA-N. The full InChI is InChI=1S/C24H25N5O7/c1-35-15-5-3-13-10-28(21(32)16(13)9-15)12-24(22(33)26-23(34)27-24)20-17(36-2)6-7-18(25-20)29-14(11-30)4-8-19(29)31/h3,5-7,9,14,30H,4,8,10-12H2,1-2H3,(H2,26,27,33,34)/t14-,24+/m1/s1.

What are the key properties of (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 495.49 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[6-[(2R)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-methoxy-2-pyridinyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70889704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).