6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C25H32ClN5O4Si — CID 168834335

About 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 168834335) has the molecular formula C25H32ClN5O4Si and a molecular weight of 530.10 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 168834335
• Molecular Formula: C25H32ClN5O4Si
• Molecular Weight: 530.10 g/mol
• Exact Mass: 529.19
• IUPAC Name: 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cc(Cl)cc2[nH]c(C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@H](C#N)C[C@@H]3CC4(CC4)NC3=O)cc12
• InChI: InChI=1S/C25H32ClN5O4Si/c1-35-21-9-15(26)8-18-17(21)10-19(29-18)23(33)30-20(13-36(2,3)4)24(34)28-16(12-27)7-14-11-25(5-6-25)31-22(14)32/h8-10,14,16,20,29H,5-7,11,13H2,1-4H3,(H,28,34)(H,30,33)(H,31,32)/t14-,16+,20+/m1/s1
• InChIKey: JWMHGTRHHJTKBW-IIMJZQEZSA-N
• XLogP: 3.33
• TPSA: 136.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.10
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 168834335) is 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cc(Cl)cc2[nH]c(C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@H](C#N)C[C@@H]3CC4(CC4)NC3=O)cc12.

What is the InChIKey of 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is JWMHGTRHHJTKBW-IIMJZQEZSA-N. The full InChI is InChI=1S/C25H32ClN5O4Si/c1-35-21-9-15(26)8-18-17(21)10-19(29-18)23(33)30-20(13-36(2,3)4)24(34)28-16(12-27)7-14-11-25(5-6-25)31-22(14)32/h8-10,14,16,20,29H,5-7,11,13H2,1-4H3,(H,28,34)(H,30,33)(H,31,32)/t14-,16+,20+/m1/s1.

What are the key properties of 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 530.10 g/mol, XLogP of 3.33, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(2R)-1-[[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 168834335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).