tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane

C76H120F3N5O2Si4 — CID 163799387

IUPACtert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane
SMILESCC[Si](CC)(CC)c1[nH]c2cc(F)ccc2c1C[C@@H](C)NC(=O)OC(C)(C)C.CC[Si](CC)(CC)c1[nH]c2ccc(F)cc2c1CC(C)C.CC[Si](CC)(CC)c1[nH]c2cccc(F)c2c1CC(C)C.CC[Si](CC)(CC)c1[nH]c2ccccc2c1CC(C)C
InChIInChI=1S/C22H35FN2O2Si.2C18H28FNSi.C18H29NSi/c1-8-28(9-2,10-3)20-18(17-12-11-16(23)14-19(17)25-20)13-15(4)24-21(26)27-22(5,6)7;1-6-21(7-2,8-3)18-16(11-13(4)5)15-12-14(19)9-10-17(15)20-18;1-6-21(7-2,8-3)18-14(12-13(4)5)17-15(19)10-9-11-16(17)20-18;1-6-20(7-2,8-3)18-16(13-14(4)5)15-11-9-10-12-17(15)19-18/h11-12,14-15,25H,8-10,13H2,1-7H3,(H,24,26);9-10,12-13,20H,6-8,11H2,1-5H3;9-11,13,20H,6-8,12H2,1-5H3;9-12,14,19H,6-8,13H2,1-5H3/t15-;;;/m1.../s1
InChIKeyNDQWBNHFBJRIHW-HKPSJHCMSA-N
MW1305.17 g/mol
LogP21.00
Rot. Bonds25

About tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane

tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane (PubChem CID 163799387) has the molecular formula C76H120F3N5O2Si4 and a molecular weight of 1305.17 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane
PubChem CID163799387
Molecular FormulaC76H120F3N5O2Si4
Molecular Weight1305.17 g/mol
Exact Mass1303.85
IUPAC Nametert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane
SMILESCC[Si](CC)(CC)c1[nH]c2cc(F)ccc2c1C[C@@H](C)NC(=O)OC(C)(C)C.CC[Si](CC)(CC)c1[nH]c2ccc(F)cc2c1CC(C)C.CC[Si](CC)(CC)c1[nH]c2cccc(F)c2c1CC(C)C.CC[Si](CC)(CC)c1[nH]c2ccccc2c1CC(C)C
InChIInChI=1S/C22H35FN2O2Si.2C18H28FNSi.C18H29NSi/c1-8-28(9-2,10-3)20-18(17-12-11-16(23)14-19(17)25-20)13-15(4)24-21(26)27-22(5,6)7;1-6-21(7-2,8-3)18-16(11-13(4)5)15-12-14(19)9-10-17(15)20-18;1-6-21(7-2,8-3)18-14(12-13(4)5)17-15(19)10-9-11-16(17)20-18;1-6-20(7-2,8-3)18-16(13-14(4)5)15-11-9-10-12-17(15)19-18/h11-12,14-15,25H,8-10,13H2,1-7H3,(H,24,26);9-10,12-13,20H,6-8,11H2,1-5H3;9-11,13,20H,6-8,12H2,1-5H3;9-12,14,19H,6-8,13H2,1-5H3/t15-;;;/m1.../s1
InChIKeyNDQWBNHFBJRIHW-HKPSJHCMSA-N
XLogP21.00
TPSA101.49 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.17
LogP ≤ 521.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane with MolForge

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Related Compounds

tert-butyl N-[(3S,9S,11E,14S,20S)-26,35-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-8,15-dioxo-7,16,29,32-tetrazaoctacyclo[20.16.2.03,7.016,20.023,28.029,40.032,39.033,38]tetraconta-1(39),11,22(40),23(28),24,26,33(38),34,36-nonaen-9-yl]carbamate
CID 57636605
tert-butyl N-[(2S)-1-[(2S)-2-[[7,16-difluoro-20-[[(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]methyl]-10,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2,4(9),5,7,14(19),15,17-octaen-3-yl]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57636606
tert-butyl N-[(2S)-1-[(2S)-2-[[7,16-difluoro-20-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]pyrrolidin-2-yl]methyl]-10,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2,4(9),5,7,14(19),15,17-octaen-3-yl]methyl]pyrrolidin-1-yl]-1-oxopent-4-en-2-yl]carbamate
CID 57636607
tert-butyl (2S)-2-[[6-fluoro-2-[4-[6-fluoro-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]phenyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 57636625
tert-butyl N-[(2S)-1-[(2S)-2-[[7,16-difluoro-20-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]pyrrolidin-2-yl]methyl]-10,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2,4(9),5,7,14(19),15,17-octaen-3-yl]methyl]pyrrolidin-1-yl]-1-oxopent-4-en-2-yl]carbamate
CID 58540622
tert-butyl N-[(3S,9S,11E,20S)-26,35-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-8,15-dioxo-7,16,29,32-tetrazaoctacyclo[20.16.2.03,7.016,20.023,28.029,40.032,39.033,38]tetraconta-1(39),11,22(40),23(28),24,26,33(38),34,36-nonaen-9-yl]carbamate
CID 58695678
[1-(2-{14-[1-(2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-ylmethyl]-3,10-difluoro-6,7-dihydro-pyrazino[1,2-a;4,3-a']diindol-13-ylmethyl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid tert-butyl ester
CID 67413906
[(2S)-1-[(2S)-2-[[7,16-difluoro-20-[[(2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]methyl]-10,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2,4(9),5,7,14(19),15,17-octaen-3-yl]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 68247324
tert-butyl N-[(3S,9S,14S,20S)-26,35-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-8,15-dioxo-7,16,29,32-tetrazaoctacyclo[20.16.2.03,7.016,20.023,28.029,40.032,39.033,38]tetraconta-1(39),11,22(40),23(28),24,26,33(38),34,36-nonaen-9-yl]carbamate
CID 71017945
(2S)-2-amino-N-[(2S)-1-[(2S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]propanamide
CID 71021441
tert-butyl (3S,9S,12S,18S)-24,33-difluoro-11-methyl-12-[(2-methylpropan-2-yl)oxycarbonylamino]-8,13-dioxo-9-propan-2-yl-7,10,14,27,30-pentazaoctacyclo[18.16.2.03,7.014,18.021,26.027,38.030,37.031,36]octatriaconta-1(37),20(38),21(26),22,24,31(36),32,34-octaene-10-carboxylate
CID 89880919
tert-butyl N-[(3S,9S,20S)-26,35-difluoro-14-[(2-methylpropan-2-yl)oxycarbonylamino]-8,15-dioxo-7,16,29,32-tetrazaoctacyclo[20.16.2.03,7.016,20.023,28.029,40.032,39.033,38]tetraconta-1(39),11,22(40),23(28),24,26,33(38),34,36-nonaen-9-yl]carbamate
CID 91001021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane?
The IUPAC name of tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane (CID 163799387) is tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane.
What is the SMILES notation for tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane?
The canonical SMILES for tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane is CC[Si](CC)(CC)c1[nH]c2cc(F)ccc2c1C[C@@H](C)NC(=O)OC(C)(C)C.CC[Si](CC)(CC)c1[nH]c2ccc(F)cc2c1CC(C)C.CC[Si](CC)(CC)c1[nH]c2cccc(F)c2c1CC(C)C.CC[Si](CC)(CC)c1[nH]c2ccccc2c1CC(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane?
The InChIKey is NDQWBNHFBJRIHW-HKPSJHCMSA-N. The full InChI is InChI=1S/C22H35FN2O2Si.2C18H28FNSi.C18H29NSi/c1-8-28(9-2,10-3)20-18(17-12-11-16(23)14-19(17)25-20)13-15(4)24-21(26)27-22(5,6)7;1-6-21(7-2,8-3)18-16(11-13(4)5)15-12-14(19)9-10-17(15)20-18;1-6-21(7-2,8-3)18-14(12-13(4)5)17-15(19)10-9-11-16(17)20-18;1-6-20(7-2,8-3)18-16(13-14(4)5)15-11-9-10-12-17(15)19-18/h11-12,14-15,25H,8-10,13H2,1-7H3,(H,24,26);9-10,12-13,20H,6-8,11H2,1-5H3;9-11,13,20H,6-8,12H2,1-5H3;9-12,14,19H,6-8,13H2,1-5H3/t15-;;;/m1.../s1.
What are the key properties of tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane?
tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane has a molecular weight of 1305.17 g/mol, XLogP of 21.00, 25 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane is sourced from PubChem (CID 163799387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).