N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

C29H34N6O4 — CID 175690613

About N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (PubChem CID 175690613) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
• PubChem CID: 175690613
• Molecular Formula: C29H34N6O4
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.26
• IUPAC Name: N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
• SMILES: O=C(CNC(=O)C1CCN(C(=O)C[C@@H]2CCNC2)CC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
• InChI: InChI=1S/C29H34N6O4/c36-24(17-32-27(38)19-6-10-35(11-7-19)25(37)12-18-5-9-30-16-18)33-22-4-3-20-14-29(15-21(20)13-22)23-2-1-8-31-26(23)34-28(29)39/h1-4,8,13,18-19,30H,5-7,9-12,14-17H2,(H,32,38)(H,33,36)(H,31,34,39)/t18-,29+/m0/s1
• InChIKey: HXISULSSHYXYEY-RBSBEOHCSA-N
• XLogP: 1.36
• TPSA: 132.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?

The IUPAC name of N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (CID 175690613) is N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is O=C(CNC(=O)C1CCN(C(=O)C[C@@H]2CCNC2)CC1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.

What is the InChIKey of N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?

The InChIKey is HXISULSSHYXYEY-RBSBEOHCSA-N. The full InChI is InChI=1S/C29H34N6O4/c36-24(17-32-27(38)19-6-10-35(11-7-19)25(37)12-18-5-9-30-16-18)33-22-4-3-20-14-29(15-21(20)13-22)23-2-1-8-31-26(23)34-28(29)39/h1-4,8,13,18-19,30H,5-7,9-12,14-17H2,(H,32,38)(H,33,36)(H,31,34,39)/t18-,29+/m0/s1.

What are the key properties of N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?

N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-1-[2-[(3S)-pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 175690613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).