1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide

C25H34ClN5O5 — CID 162479523

About 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide

1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide (PubChem CID 162479523) has the molecular formula C25H34ClN5O5 and a molecular weight of 520.03 g/mol. Its IUPAC name is 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide
• PubChem CID: 162479523
• Molecular Formula: C25H34ClN5O5
• Molecular Weight: 520.03 g/mol
• Exact Mass: 519.22
• IUPAC Name: 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide
• SMILES: COc1ccc(Cl)c2c1cc(C(N)=O)n2[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
• InChI: InChI=1S/C25H34ClN5O5/c1-25(2,3)12-18(24(35)30-16(21(27)32)10-13-6-5-9-29-23(13)34)31-17(22(28)33)11-14-19(36-4)8-7-15(26)20(14)31/h7-8,11,13,16,18H,5-6,9-10,12H2,1-4H3,(H2,27,32)(H2,28,33)(H,29,34)(H,30,35)/t13-,16-,18-/m0/s1
• InChIKey: VYWGYUKSWMDVET-OWQGQXMQSA-N
• XLogP: 2.27
• TPSA: 158.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.03
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide?

The IUPAC name of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide (CID 162479523) is 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide.

What is the SMILES notation for 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide?

The canonical SMILES for 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide is COc1ccc(Cl)c2c1cc(C(N)=O)n2[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O.

What is the InChIKey of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide?

The InChIKey is VYWGYUKSWMDVET-OWQGQXMQSA-N. The full InChI is InChI=1S/C25H34ClN5O5/c1-25(2,3)12-18(24(35)30-16(21(27)32)10-13-6-5-9-29-23(13)34)31-17(22(28)33)11-14-19(36-4)8-7-15(26)20(14)31/h7-8,11,13,16,18H,5-6,9-10,12H2,1-4H3,(H2,27,32)(H2,28,33)(H,29,34)(H,30,35)/t13-,16-,18-/m0/s1.

What are the key properties of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide?

1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide has a molecular weight of 520.03 g/mol, XLogP of 2.27, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxyindole-2-carboxamide is sourced from PubChem (CID 162479523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).