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

C26H39Cl2N3O2Si — CID 10929451

IUPAC[5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane
SMILESCCOC1=N[C@H](Cc2c([Si](CC)(CC)CC)[nH]c3cc(Cl)c(Cl)cc23)C(OCC)=N[C@H]1C(C)C
InChIInChI=1S/C26H39Cl2N3O2Si/c1-8-32-24-22(29-25(33-9-2)23(31-24)16(6)7)14-18-17-13-19(27)20(28)15-21(17)30-26(18)34(10-3,11-4)12-5/h13,15-16,22-23,30H,8-12,14H2,1-7H3/t22-,23+/m1/s1
InChIKeyMIFHDSPMWVWWIH-PKTZIBPZSA-N
MW524.61 g/mol
LogP7.01
Rot. Bonds9

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

[5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane (PubChem CID 10929451) has the molecular formula C26H39Cl2N3O2Si and a molecular weight of 524.61 g/mol. Its IUPAC name is [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane.

Molecular Properties

Compound Name[5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane
PubChem CID10929451
Molecular FormulaC26H39Cl2N3O2Si
Molecular Weight524.61 g/mol
Exact Mass523.22
IUPAC Name[5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane
SMILESCCOC1=N[C@H](Cc2c([Si](CC)(CC)CC)[nH]c3cc(Cl)c(Cl)cc23)C(OCC)=N[C@H]1C(C)C
InChIInChI=1S/C26H39Cl2N3O2Si/c1-8-32-24-22(29-25(33-9-2)23(31-24)16(6)7)14-18-17-13-19(27)20(28)15-21(17)30-26(18)34(10-3,11-4)12-5/h13,15-16,22-23,30H,8-12,14H2,1-7H3/t22-,23+/m1/s1
InChIKeyMIFHDSPMWVWWIH-PKTZIBPZSA-N
XLogP7.01
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.61
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane with MolForge

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

Launch Full Analysis

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]-5-fluoro-1H-indol-2-yl]-trimethylsilane
CID 100927485
(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
CID 100935179
(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 67746400
3,6-diethoxy-2-propan-2-yl-5-propyl-2,5-dihydropyrazine
CID 161224014
3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane
CID 15484763
5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine
CID 54446328
(2R,5R)-3,6-diethoxy-2-[[[(2R,5R)-6-ethoxy-3-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyldisulfanyl]methyl]-5-propan-2-yl-2,5-dihydropyrazine
CID 87664416
(2R,5S)-2-[(4,6-dichloro-3-pyridinyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 137480591
2-[3-[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl]aniline
CID 11186908
1-(benzenesulfonyl)-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxyindole
CID 10505908
(2S,5R)-2-[(E)-2-diethoxyphosphoryl-3-phenylprop-2-enyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 12963987

Frequently Asked Questions

What is the IUPAC name of [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane?
The IUPAC name of [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) is [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane.
What is the SMILES notation for [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane?
The canonical SMILES for [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane is CCOC1=N[C@H](Cc2c([Si](CC)(CC)CC)[nH]c3cc(Cl)c(Cl)cc23)C(OCC)=N[C@H]1C(C)C.
What is the InChIKey of [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane?
The InChIKey is MIFHDSPMWVWWIH-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H39Cl2N3O2Si/c1-8-32-24-22(29-25(33-9-2)23(31-24)16(6)7)14-18-17-13-19(27)20(28)15-21(17)30-26(18)34(10-3,11-4)12-5/h13,15-16,22-23,30H,8-12,14H2,1-7H3/t22-,23+/m1/s1.
What are the key properties of [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane?
[5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane has a molecular weight of 524.61 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dichloro-3-[[(2R,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-1H-indol-2-yl]-triethylsilane is sourced from PubChem (CID 10929451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).