(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide

C24H29ClN4O3 — CID 163870441

About (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide

(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide (PubChem CID 163870441) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide
• PubChem CID: 163870441
• Molecular Formula: C24H29ClN4O3
• Molecular Weight: 456.97 g/mol
• Exact Mass: 456.19
• IUPAC Name: (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide
• SMILES: CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C24H29ClN4O3/c1-24(2,3)12-16(23(32)28-18(13-26)8-15-6-7-27-22(15)31)10-21(30)20-9-14-4-5-17(25)11-19(14)29-20/h4-5,9,11,15-16,18,29H,6-8,10,12H2,1-3H3,(H,27,31)(H,28,32)/t15-,16-,18-/m0/s1
• InChIKey: PKIKBPIRDVAREB-BQFCYCMXSA-N
• XLogP: 3.98
• TPSA: 114.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.97
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide?

The IUPAC name of (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide (CID 163870441) is (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide.

What is the SMILES notation for (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide?

The canonical SMILES for (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide is CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O.

What is the InChIKey of (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide?

The InChIKey is PKIKBPIRDVAREB-BQFCYCMXSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-24(2,3)12-16(23(32)28-18(13-26)8-15-6-7-27-22(15)31)10-21(30)20-9-14-4-5-17(25)11-19(14)29-20/h4-5,9,11,15-16,18,29H,6-8,10,12H2,1-3H3,(H,27,31)(H,28,32)/t15-,16-,18-/m0/s1.

What are the key properties of (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide?

(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide has a molecular weight of 456.97 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 163870441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).