N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide

C28H33N5O4 — CID 166955770

About N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide

N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide (PubChem CID 166955770) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide
• PubChem CID: 166955770
• Molecular Formula: C28H33N5O4
• Molecular Weight: 503.60 g/mol
• Exact Mass: 503.25
• IUPAC Name: N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide
• SMILES: O=C(CN(C(=O)C1CCCC1)[C@]1(O)CCCNC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
• InChI: InChI=1S/C28H33N5O4/c34-23(16-33(25(35)18-5-1-2-6-18)28(37)10-4-11-29-17-28)31-21-9-8-19-14-27(15-20(19)13-21)22-7-3-12-30-24(22)32-26(27)36/h3,7-9,12-13,18,29,37H,1-2,4-6,10-11,14-17H2,(H,31,34)(H,30,32,36)/t27-,28+/m1/s1
• InChIKey: AQZKCDMZIMUVEE-IZLXSDGUSA-N
• XLogP: 2.10
• TPSA: 123.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.60
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide?

The IUPAC name of N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide (CID 166955770) is N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide?

The canonical SMILES for N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide is O=C(CN(C(=O)C1CCCC1)[C@]1(O)CCCNC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.

What is the InChIKey of N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide?

The InChIKey is AQZKCDMZIMUVEE-IZLXSDGUSA-N. The full InChI is InChI=1S/C28H33N5O4/c34-23(16-33(25(35)18-5-1-2-6-18)28(37)10-4-11-29-17-28)31-21-9-8-19-14-27(15-20(19)13-21)22-7-3-12-30-24(22)32-26(27)36/h3,7-9,12-13,18,29,37H,1-2,4-6,10-11,14-17H2,(H,31,34)(H,30,32,36)/t27-,28+/m1/s1.

What are the key properties of N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide?

N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide has a molecular weight of 503.60 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-3-hydroxypiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 166955770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).