CID 170610161

C20H29Cl2N5O2Si- — CID 170610161

IUPAC—
SMILESCC(C)(C)[Si-](C)(C)OCCN(N)/C=C(\N)n1ccc2c(OCC#N)cc(Cl)c(Cl)c21
InChIInChI=1S/C20H29Cl2N5O2Si/c1-20(2,3)30(4,5)29-11-9-26(25)13-17(24)27-8-6-14-16(28-10-7-23)12-15(21)18(22)19(14)27/h6,8,12-13H,9-11,24-25H2,1-5H3/q-1/b17-13+
InChIKeyCCGPEKPHEDPOQN-GHRIWEEISA-N
MW470.48 g/mol
LogP4.76
Rot. Bonds8

About CID 170610161

CID 170610161 (PubChem CID 170610161) has the molecular formula C20H29Cl2N5O2Si- and a molecular weight of 470.48 g/mol.

Molecular Properties

Compound NameCID 170610161
PubChem CID170610161
Molecular FormulaC20H29Cl2N5O2Si-
Molecular Weight470.48 g/mol
Exact Mass469.15
IUPAC Name—
SMILESCC(C)(C)[Si-](C)(C)OCCN(N)/C=C(\N)n1ccc2c(OCC#N)cc(Cl)c(Cl)c21
InChIInChI=1S/C20H29Cl2N5O2Si/c1-20(2,3)30(4,5)29-11-9-26(25)13-17(24)27-8-6-14-16(28-10-7-23)12-15(21)18(22)19(14)27/h6,8,12-13H,9-11,24-25H2,1-5H3/q-1/b17-13+
InChIKeyCCGPEKPHEDPOQN-GHRIWEEISA-N
XLogP4.76
TPSA102.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,7-dichloro-4-(2-fluoroethoxy)-1H-indole
CID 170427749
6,7-dichloro-4-ethoxy-1H-indole
CID 170426700
6,7-Dichloro-1-ethynyl-4-phenylmethoxyindole
CID 170426978
2-[(6,7-dichloro-1H-indol-4-yl)oxy]propanenitrile
CID 170427084
N-[2-[6,7-dichloro-4-(cyanomethoxy)indol-1-yl]ethyl]methanesulfonamide
CID 170427475
2-[(6,7-dichloro-1H-indol-4-yl)oxy]acetonitrile
CID 170427561
1-[3-[Tert-butyl(dimethyl)silyl]oxypropoxy]-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-ol
CID 170550441
2-[6,7-Dichloro-3-imidazol-1-yl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
CID 170550446
2-[(6,7-Dichloro-4-ethoxyindol-1-yl)methoxy]ethyl-trimethylsilane
CID 170550459
2-(6,7-Dichloro-4-phenylmethoxyindol-1-yl)ethynyl-tri(propan-2-yl)silane
CID 170550472
2-[6,7-Dichloro-3-iodo-1-(2-trimethylsilylethoxymethyl)indol-4-yl]oxyacetonitrile
CID 170550494
Tert-butyl-[2-[4-(6,7-dichloro-4-phenylmethoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550512

Frequently Asked Questions

What is the IUPAC name of CID 170610161?
The IUPAC name of CID 170610161 (CID 170610161) is not available.
What is the SMILES notation for CID 170610161?
The canonical SMILES for CID 170610161 is CC(C)(C)[Si-](C)(C)OCCN(N)/C=C(\N)n1ccc2c(OCC#N)cc(Cl)c(Cl)c21.
What is the InChIKey of CID 170610161?
The InChIKey is CCGPEKPHEDPOQN-GHRIWEEISA-N. The full InChI is InChI=1S/C20H29Cl2N5O2Si/c1-20(2,3)30(4,5)29-11-9-26(25)13-17(24)27-8-6-14-16(28-10-7-23)12-15(21)18(22)19(14)27/h6,8,12-13H,9-11,24-25H2,1-5H3/q-1/b17-13+.
What are the key properties of CID 170610161?
CID 170610161 has a molecular weight of 470.48 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170610161 is sourced from PubChem (CID 170610161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).