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

C30H37N5O4 — CID 146609736

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

4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide (PubChem CID 146609736) has the molecular formula C30H37N5O4 and a molecular weight of 531.66 g/mol. Its IUPAC name is 4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide
• PubChem CID: 146609736
• Molecular Formula: C30H37N5O4
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.28
• IUPAC Name: 4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide
• SMILES: CCC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H]2CCCNC2)CCOCC1
• InChI: InChI=1S/C30H37N5O4/c1-2-29(9-13-39-14-10-29)28(38)35(23-5-3-11-31-18-23)19-25(36)33-22-8-7-20-16-30(17-21(20)15-22)24-6-4-12-32-26(24)34-27(30)37/h4,6-8,12,15,23,31H,2-3,5,9-11,13-14,16-19H2,1H3,(H,33,36)(H,32,34,37)/t23-,30+/m0/s1
• InChIKey: NITMWPZXJBETJP-YUDQIZAISA-N
• XLogP: 2.80
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide (CID 146609736) is 4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide.

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

The canonical SMILES for 4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide is CCC1(C(=O)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)[C@H]2CCCNC2)CCOCC1.

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

The InChIKey is NITMWPZXJBETJP-YUDQIZAISA-N. The full InChI is InChI=1S/C30H37N5O4/c1-2-29(9-13-39-14-10-29)28(38)35(23-5-3-11-31-18-23)19-25(36)33-22-8-7-20-16-30(17-21(20)15-22)24-6-4-12-32-26(24)34-27(30)37/h4,6-8,12,15,23,31H,2-3,5,9-11,13-14,16-19H2,1H3,(H,33,36)(H,32,34,37)/t23-,30+/m0/s1.

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

4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide has a molecular weight of 531.66 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]-N-[(3S)-piperidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 146609736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).