[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane

C23H34FN3O2Si — CID 100927485

IUPAC[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1c([Si](C)(C)C)[nH]c2ccc(F)cc12
InChIInChI=1S/C23H34FN3O2Si/c1-8-28-21-19(25-22(29-9-2)20(27-21)14(3)4)13-17-16-12-15(24)10-11-18(16)26-23(17)30(5,6)7/h10-12,14,19-20,26H,8-9,13H2,1-7H3/t19-,20+/m0/s1
InChIKeyMVWWMUIZTLELOQ-VQTJNVASSA-N
MW431.63 g/mol
LogP4.67
Rot. Bonds6

About [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane

[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane (PubChem CID 100927485) has the molecular formula C23H34FN3O2Si and a molecular weight of 431.63 g/mol. Its IUPAC name is [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane
PubChem CID100927485
Molecular FormulaC23H34FN3O2Si
Molecular Weight431.63 g/mol
Exact Mass431.24
IUPAC Name[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1c([Si](C)(C)C)[nH]c2ccc(F)cc12
InChIInChI=1S/C23H34FN3O2Si/c1-8-28-21-19(25-22(29-9-2)20(27-21)14(3)4)13-17-16-12-15(24)10-11-18(16)26-23(17)30(5,6)7/h10-12,14,19-20,26H,8-9,13H2,1-7H3/t19-,20+/m0/s1
InChIKeyMVWWMUIZTLELOQ-VQTJNVASSA-N
XLogP4.67
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methyl-1H-indol-2-yl]-trimethylsilane
CID 10916938
[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-6-methoxy-1H-indol-2-yl]-trimethylsilane
CID 100927484
[5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane
CID 10929451
(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
CID 100935179
3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
CID 161224014
2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 164763836
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
(2S,5R)-2-[(E)-2-diethoxyphosphoryl-3-phenylprop-2-enyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 12963987
3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole
CID 146400396
1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740322
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 84620713

Frequently Asked Questions

What is the IUPAC name of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane?
The IUPAC name of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane (CID 100927485) is [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane.
What is the SMILES notation for [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane?
The canonical SMILES for [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane is CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1Cc1c([Si](C)(C)C)[nH]c2ccc(F)cc12.
What is the InChIKey of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane?
The InChIKey is MVWWMUIZTLELOQ-VQTJNVASSA-N. The full InChI is InChI=1S/C23H34FN3O2Si/c1-8-28-21-19(25-22(29-9-2)20(27-21)14(3)4)13-17-16-12-15(24)10-11-18(16)26-23(17)30(5,6)7/h10-12,14,19-20,26H,8-9,13H2,1-7H3/t19-,20+/m0/s1.
What are the key properties of [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane?
[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane has a molecular weight of 431.63 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane is sourced from PubChem (CID 100927485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).