2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C30H28ClFN4O3 — CID 25020444

About 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 25020444) has the molecular formula C30H28ClFN4O3 and a molecular weight of 547.03 g/mol. Its IUPAC name is 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
• PubChem CID: 25020444
• Molecular Formula: C30H28ClFN4O3
• Molecular Weight: 547.03 g/mol
• Exact Mass: 546.18
• IUPAC Name: 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
• SMILES: CC1(C)CC[C@@H](c2ccc(Cl)c(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O
• InChI: InChI=1S/C30H28ClFN4O3/c1-29(2)10-9-24(17-6-8-22(31)23(32)13-17)36(28(29)39)16-25(37)34-20-7-5-18-14-30(15-19(18)12-20)21-4-3-11-33-26(21)35-27(30)38/h3-8,11-13,24H,9-10,14-16H2,1-2H3,(H,34,37)(H,33,35,38)/t24-,30+/m0/s1
• InChIKey: ZKIHDEAXJFVKBN-QABMSTFYSA-N
• XLogP: 5.19
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.03
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The IUPAC name of 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 25020444) is 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-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-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The canonical SMILES for 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is CC1(C)CC[C@@H](c2ccc(Cl)c(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O.

What is the InChIKey of 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The InChIKey is ZKIHDEAXJFVKBN-QABMSTFYSA-N. The full InChI is InChI=1S/C30H28ClFN4O3/c1-29(2)10-9-24(17-6-8-22(31)23(32)13-17)36(28(29)39)16-25(37)34-20-7-5-18-14-30(15-19(18)12-20)21-4-3-11-33-26(21)35-27(30)38/h3-8,11-13,24H,9-10,14-16H2,1-2H3,(H,34,37)(H,33,35,38)/t24-,30+/m0/s1.

What are the key properties of 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 547.03 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6S)-6-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 25020444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).