(19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one

C23H24N2O5Si — CID 167605154

IUPAC(19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one
SMILESC=C1OCc2c(cc3n(c2=O)Cc2c-3nc3ccc(O)cc3c2[Si](C)(C)O)[C@@]1(O)CC
InChIInChI=1S/C23H24N2O5Si/c1-5-23(28)12(2)30-11-16-17(23)9-19-20-15(10-25(19)22(16)27)21(31(3,4)29)14-8-13(26)6-7-18(14)24-20/h6-9,26,28-29H,2,5,10-11H2,1,3-4H3/t23-/m1/s1
InChIKeyHEIWPJWCBIUMSE-HSZRJFAPSA-N
MW436.54 g/mol
LogP2.18
Rot. Bonds2

About (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one

(19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one (PubChem CID 167605154) has the molecular formula C23H24N2O5Si and a molecular weight of 436.54 g/mol. Its IUPAC name is (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one.

Molecular Properties

Compound Name(19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one
PubChem CID167605154
Molecular FormulaC23H24N2O5Si
Molecular Weight436.54 g/mol
Exact Mass436.15
IUPAC Name(19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one
SMILESC=C1OCc2c(cc3n(c2=O)Cc2c-3nc3ccc(O)cc3c2[Si](C)(C)O)[C@@]1(O)CC
InChIInChI=1S/C23H24N2O5Si/c1-5-23(28)12(2)30-11-16-17(23)9-19-20-15(10-25(19)22(16)27)21(31(3,4)29)14-8-13(26)6-7-18(14)24-20/h6-9,26,28-29H,2,5,10-11H2,1,3-4H3/t23-/m1/s1
InChIKeyHEIWPJWCBIUMSE-HSZRJFAPSA-N
XLogP2.18
TPSA104.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one with MolForge

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Related Compounds

(19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-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 140887209
(19S)-19-ethyl-7,19-dihydroxy-10-[[hydroxy(dimethyl)silyl]methyl]-18-methylidene-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)-heptaen-14-one
CID 165016652
(19S)-19-ethyl-7,19-dihydroxy-10-[(1R)-1-hydroxyethyl]-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 172508486
(19S)-10,19-diethyl-19-hydroxy-18-methylidene-7-propan-2-yloxy-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)-heptaen-14-one
CID 170321855
(19S)-19-ethyl-7,19-dihydroxy-8-[hydroxy(dimethyl)silyl]-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 162165259
19-ethyl-7,19-dihydroxy-10-(2-trimethylsilylethyl)-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 20730259
(19S)-10-[2-(dimethylamino)ethyl]-19-ethyl-19-hydroxy-18-methylidene-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-14-one
CID 170067493
(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
(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
(19R)-10,19-diethyl-7,19-dihydroxy-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 159015212
(19S)-10,19-diethyl-7-hydroxy-19-methyl-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 166974475
20-ethyl-7,20-dihydroxy-10-methyl-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione
CID 46839093

Frequently Asked Questions

What is the IUPAC name of (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one?
The IUPAC name of (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one (CID 167605154) is (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one.
What is the SMILES notation for (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one?
The canonical SMILES for (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one is C=C1OCc2c(cc3n(c2=O)Cc2c-3nc3ccc(O)cc3c2[Si](C)(C)O)[C@@]1(O)CC.
What is the InChIKey of (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one?
The InChIKey is HEIWPJWCBIUMSE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N2O5Si/c1-5-23(28)12(2)30-11-16-17(23)9-19-20-15(10-25(19)22(16)27)21(31(3,4)29)14-8-13(26)6-7-18(14)24-20/h6-9,26,28-29H,2,5,10-11H2,1,3-4H3/t23-/m1/s1.
What are the key properties of (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one?
(19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one has a molecular weight of 436.54 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (19S)-19-ethyl-7,19-dihydroxy-10-[hydroxy(dimethyl)silyl]-18-methylidene-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)-heptaen-14-one is sourced from PubChem (CID 167605154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).