3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane

C23H27ClN4O3 — CID 157286090

About 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane

3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane (PubChem CID 157286090) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane.

Molecular Properties

• Compound Name: 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane
• PubChem CID: 157286090
• Molecular Formula: C23H27ClN4O3
• Molecular Weight: 442.95 g/mol
• Exact Mass: 442.18
• IUPAC Name: 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane
• SMILES: C.C[C@]1(c2ccc(Cl)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1
• InChI: InChI=1S/C22H23ClN4O3.CH4/c1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;/h2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);1H4/t18-,22+;/m0./s1
• InChIKey: BAGDCASYAFDAAX-VNJAQMQMSA-N
• XLogP: 3.92
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.95
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane?

The IUPAC name of 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane (CID 157286090) is 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane.

What is the SMILES notation for 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane?

The canonical SMILES for 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane is C.C[C@]1(c2ccc(Cl)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.

What is the InChIKey of 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane?

The InChIKey is BAGDCASYAFDAAX-VNJAQMQMSA-N. The full InChI is InChI=1S/C22H23ClN4O3.CH4/c1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;/h2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);1H4/t18-,22+;/m0./s1.

What are the key properties of 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane?

3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane has a molecular weight of 442.95 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;methane is sourced from PubChem (CID 157286090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).