(19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

C32H35N3O5Si — CID 25260922

About (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

(19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (PubChem CID 25260922) has the molecular formula C32H35N3O5Si and a molecular weight of 569.73 g/mol. Its IUPAC name is (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.

Molecular Properties

• Compound Name: (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
• PubChem CID: 25260922
• Molecular Formula: C32H35N3O5Si
• Molecular Weight: 569.73 g/mol
• Exact Mass: 569.23
• IUPAC Name: (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)CCCn1ccccc1=O
• InChI: InChI=1S/C32H35N3O5Si/c1-4-32(39)25-18-27-29-23(19-35(27)30(37)24(25)20-40-31(32)38)21(22-10-5-6-11-26(22)33-29)13-17-41(2,3)16-9-15-34-14-8-7-12-28(34)36/h5-8,10-12,14,18,39H,4,9,13,15-17,19-20H2,1-3H3/t32-/m0/s1
• InChIKey: ZRTAORNNDKDIOC-YTTGMZPUSA-N
• XLogP: 4.58
• TPSA: 103.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.73
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The IUPAC name of (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione (CID 25260922) is (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione.

What is the SMILES notation for (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The canonical SMILES for (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)CCCn1ccccc1=O.

What is the InChIKey of (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

The InChIKey is ZRTAORNNDKDIOC-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H35N3O5Si/c1-4-32(39)25-18-27-29-23(19-35(27)30(37)24(25)20-40-31(32)38)21(22-10-5-6-11-26(22)33-29)13-17-41(2,3)16-9-15-34-14-8-7-12-28(34)36/h5-8,10-12,14,18,39H,4,9,13,15-17,19-20H2,1-3H3/t32-/m0/s1.

What are the key properties of (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione?

(19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione has a molecular weight of 569.73 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (19S)-10-[2-[dimethyl-[3-(2-oxo-1-pyridinyl)propyl]silyl]ethyl]-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 25260922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).