ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate

C30H42FN3O4Si — CID 156654921

IUPACethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate
SMILESCCOC(=O)c1c(CCCO[Si](C)(C)C(C)(C)C)c2ccc(F)c3c2n1C/C=C\COCc1nn(C)c(C)c1-3
InChIInChI=1S/C30H42FN3O4Si/c1-9-37-29(35)28-21(13-12-18-38-39(7,8)30(3,4)5)22-14-15-23(31)26-25-20(2)33(6)32-24(25)19-36-17-11-10-16-34(28)27(22)26/h10-11,14-15H,9,12-13,16-19H2,1-8H3/b11-10-
InChIKeySUEXXHRQCKVVAG-KHPPLWFESA-N
MW555.77 g/mol
LogP6.71
Rot. Bonds7

About ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate

ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate (PubChem CID 156654921) has the molecular formula C30H42FN3O4Si and a molecular weight of 555.77 g/mol. Its IUPAC name is ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate.

Molecular Properties

Compound Nameethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate
PubChem CID156654921
Molecular FormulaC30H42FN3O4Si
Molecular Weight555.77 g/mol
Exact Mass555.29
IUPAC Nameethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate
SMILESCCOC(=O)c1c(CCCO[Si](C)(C)C(C)(C)C)c2ccc(F)c3c2n1C/C=C\COCc1nn(C)c(C)c1-3
InChIInChI=1S/C30H42FN3O4Si/c1-9-37-29(35)28-21(13-12-18-38-39(7,8)30(3,4)5)22-14-15-23(31)26-25-20(2)33(6)32-24(25)19-36-17-11-10-16-34(28)27(22)26/h10-11,14-15H,9,12-13,16-19H2,1-8H3/b11-10-
InChIKeySUEXXHRQCKVVAG-KHPPLWFESA-N
XLogP6.71
TPSA67.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.77
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate?
The IUPAC name of ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate (CID 156654921) is ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate.
What is the SMILES notation for ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate?
The canonical SMILES for ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate is CCOC(=O)c1c(CCCO[Si](C)(C)C(C)(C)C)c2ccc(F)c3c2n1C/C=C\COCc1nn(C)c(C)c1-3.
What is the InChIKey of ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate?
The InChIKey is SUEXXHRQCKVVAG-KHPPLWFESA-N. The full InChI is InChI=1S/C30H42FN3O4Si/c1-9-37-29(35)28-21(13-12-18-38-39(7,8)30(3,4)5)22-14-15-23(31)26-25-20(2)33(6)32-24(25)19-36-17-11-10-16-34(28)27(22)26/h10-11,14-15H,9,12-13,16-19H2,1-8H3/b11-10-.
What are the key properties of ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate?
ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate has a molecular weight of 555.77 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (10Z)-15-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-19-fluoro-3,4-dimethyl-8-oxa-4,5,13-triazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,10,14,16(20),17-heptaene-14-carboxylate is sourced from PubChem (CID 156654921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).