CID 174733462

C34H25Cl2FN2OSi — CID 174733462

IUPAC—
SMILESCC(Oc1cc(C#C[Si]C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C34H25Cl2FN2OSi/c1-23(31-28(35)17-18-29(37)32(31)36)40-30-21-24(22-39-33(30)38)19-20-41-34(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-18,21-23H,1H3,(H2,38,39)
InChIKeyYSBKXLZPKOXIJQ-UHFFFAOYSA-N
MW595.58 g/mol
LogP8.26
Rot. Bonds7

About CID 174733462

CID 174733462 (PubChem CID 174733462) has the molecular formula C34H25Cl2FN2OSi and a molecular weight of 595.58 g/mol.

Molecular Properties

Compound NameCID 174733462
PubChem CID174733462
Molecular FormulaC34H25Cl2FN2OSi
Molecular Weight595.58 g/mol
Exact Mass594.11
IUPAC Name—
SMILESCC(Oc1cc(C#C[Si]C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C34H25Cl2FN2OSi/c1-23(31-28(35)17-18-29(37)32(31)36)40-30-21-24(22-39-33(30)38)19-20-41-34(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-18,21-23H,1H3,(H2,38,39)
InChIKeyYSBKXLZPKOXIJQ-UHFFFAOYSA-N
XLogP8.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.58
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]prop-2-ynamide
CID 69459031
3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]prop-2-ynylurea
CID 21111143
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile;5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 160915595
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-(4-methylpiperazin-1-yl)but-1-ynyl]pyridin-2-amine
CID 72706720
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3-morpholin-4-ylbut-1-ynyl)pyridin-2-amine
CID 72706719
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-ethylpyridin-2-amine
CID 143190028
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
5-(6-bromo-3-pyridinyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 59599434
1-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethane-1,2-diol
CID 21111371
5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine
CID 59231694
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-(dimethylamino)phenyl]pyridin-2-amine
CID 21110793
2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol
CID 143190350

Frequently Asked Questions

What is the IUPAC name of CID 174733462?
The IUPAC name of CID 174733462 (CID 174733462) is not available.
What is the SMILES notation for CID 174733462?
The canonical SMILES for CID 174733462 is CC(Oc1cc(C#C[Si]C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of CID 174733462?
The InChIKey is YSBKXLZPKOXIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25Cl2FN2OSi/c1-23(31-28(35)17-18-29(37)32(31)36)40-30-21-24(22-39-33(30)38)19-20-41-34(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-18,21-23H,1H3,(H2,38,39).
What are the key properties of CID 174733462?
CID 174733462 has a molecular weight of 595.58 g/mol, XLogP of 8.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174733462 is sourced from PubChem (CID 174733462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).