(19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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

C26H30N2O4Si — CID 5459404

IUPAC(19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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
SMILESCC[C@@]1(O)C(=O)COc2c1cc1n(c2=O)Cc2c-1nc1cccc(C(C)C)c1c2[Si](C)(C)C
InChIInChI=1S/C26H30N2O4Si/c1-7-26(31)17-11-19-22-16(12-28(19)25(30)23(17)32-13-20(26)29)24(33(4,5)6)21-15(14(2)3)9-8-10-18(21)27-22/h8-11,14,31H,7,12-13H2,1-6H3/t26-/m0/s1
InChIKeyQUZNXHMPHDVLAN-SANMLTNESA-N
MW462.62 g/mol
LogP3.65
Rot. Bonds3

About (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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 5459404) has the molecular formula C26H30N2O4Si and a molecular weight of 462.62 g/mol. Its IUPAC name is (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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 CID5459404
Molecular FormulaC26H30N2O4Si
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name(19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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
SMILESCC[C@@]1(O)C(=O)COc2c1cc1n(c2=O)Cc2c-1nc1cccc(C(C)C)c1c2[Si](C)(C)C
InChIInChI=1S/C26H30N2O4Si/c1-7-26(31)17-11-19-22-16(12-28(19)25(30)23(17)32-13-20(26)29)24(33(4,5)6)21-15(14(2)3)9-8-10-18(21)27-22/h8-11,14,31H,7,12-13H2,1-6H3/t26-/m0/s1
InChIKeyQUZNXHMPHDVLAN-SANMLTNESA-N
XLogP3.65
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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 with MolForge

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Related Compounds

(19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-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 11465396
1-propan-2-yl-12-trimethylsilyl-11H-indolizino[1,2-b]quinolin-9-one
CID 5459414
19-ethyl-19-hydroxy-8,10-dimethyl-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 10429595
8-chloro-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 76510529
(19R)-7-amino-19-ethyl-19-hydroxy-10-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 10433119
(10S)-10-ethyl-10-hydroxy-8,22-dioxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 10023268
(19S)-19-ethyl-19-hydroxy-10-triethylsilyl-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 15481511
(20R)-7-amino-20-ethyl-8-fluoro-20-hydroxy-10-trimethylsilyl-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione
CID 10004786
(10S)-10-ethyl-10-hydroxy-21-oxo-19-(propan-2-ylamino)-8-oxa-21λ4-thia-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,22-octaene-5,9-dione
CID 172514922
10-ethyl-10-hydroxy-22-(hydroxymethyl)-23-(3-methylbutyl)-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
CID 10311128
(10S)-10,23-diethyl-10-hydroxy-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19-heptaene-5,9,22-trione
CID 21054581
(19S)-19-ethyl-19-hydroxy-7,8,10-trimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 54005453

Frequently Asked Questions

What is the IUPAC name of (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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 5459404) is (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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)COc2c1cc1n(c2=O)Cc2c-1nc1cccc(C(C)C)c1c2[Si](C)(C)C.
What is the InChIKey of (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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 QUZNXHMPHDVLAN-SANMLTNESA-N. The full InChI is InChI=1S/C26H30N2O4Si/c1-7-26(31)17-11-19-22-16(12-28(19)25(30)23(17)32-13-20(26)29)24(33(4,5)6)21-15(14(2)3)9-8-10-18(21)27-22/h8-11,14,31H,7,12-13H2,1-6H3/t26-/m0/s1.
What are the key properties of (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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 462.62 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (19S)-19-ethyl-19-hydroxy-8-propan-2-yl-10-trimethylsilyl-16-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 5459404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).