2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C29H33N5O3 — CID 46846575

About 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 46846575) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
• PubChem CID: 46846575
• Molecular Formula: C29H33N5O3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.26
• IUPAC Name: 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
• SMILES: CC(C)(C)C1=NC2(CCCCC2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O
• InChI: InChI=1S/C29H33N5O3/c1-27(2,3)23-25(36)34(29(33-23)11-5-4-6-12-29)17-22(35)31-20-10-9-18-15-28(16-19(18)14-20)21-8-7-13-30-24(21)32-26(28)37/h7-10,13-14H,4-6,11-12,15-17H2,1-3H3,(H,31,35)(H,30,32,37)/t28-/m1/s1
• InChIKey: PUHJAKAKDPRAJG-MUUNZHRXSA-N
• XLogP: 4.00
• TPSA: 103.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The IUPAC name of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 46846575) is 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

What is the SMILES notation for 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The canonical SMILES for 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is CC(C)(C)C1=NC2(CCCCC2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.

What is the InChIKey of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The InChIKey is PUHJAKAKDPRAJG-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-27(2,3)23-25(36)34(29(33-23)11-5-4-6-12-29)17-22(35)31-20-10-9-18-15-28(16-19(18)14-20)21-8-7-13-30-24(21)32-26(28)37/h7-10,13-14H,4-6,11-12,15-17H2,1-3H3,(H,31,35)(H,30,32,37)/t28-/m1/s1.

What are the key properties of 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 499.62 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-tert-butyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 46846575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).