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

C22H23FN4O3 — CID 146430124

IUPAC3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1
InChIInChI=1S/C22H23FN4O3/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)/t18-,22+/m0/s1
InChIKeyLOCBQHORWRHHSJ-PGRDOPGGSA-N
MW410.45 g/mol
LogP2.77
Rot. Bonds3

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

3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 146430124) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID146430124
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESC[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1
InChIInChI=1S/C22H23FN4O3/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)/t18-,22+/m0/s1
InChIKeyLOCBQHORWRHHSJ-PGRDOPGGSA-N
XLogP2.77
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 146430124) is 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.
What is the InChIKey of 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is LOCBQHORWRHHSJ-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H23FN4O3/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)/t18-,22+/m0/s1.
What are the key properties of 3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 410.45 g/mol, XLogP of 2.77, 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-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146430124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).