2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile

C22H33ClN4OSi — CID 153288800

IUPAC2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1nc2cnc(Cl)cc2n1C1CCC(CC#N)CC1
InChIInChI=1S/C22H33ClN4OSi/c1-15(28-29(5,6)22(2,3)4)21-26-18-14-25-20(23)13-19(18)27(21)17-9-7-16(8-10-17)11-12-24/h13-17H,7-11H2,1-6H3/t15-,16?,17?/m1/s1
InChIKeyBXYSWGFZQQKJHN-KLAILNCOSA-N
MW433.07 g/mol
LogP6.81
Rot. Bonds5

About 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile

2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile (PubChem CID 153288800) has the molecular formula C22H33ClN4OSi and a molecular weight of 433.07 g/mol. Its IUPAC name is 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile
PubChem CID153288800
Molecular FormulaC22H33ClN4OSi
Molecular Weight433.07 g/mol
Exact Mass432.21
IUPAC Name2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1nc2cnc(Cl)cc2n1C1CCC(CC#N)CC1
InChIInChI=1S/C22H33ClN4OSi/c1-15(28-29(5,6)22(2,3)4)21-26-18-14-25-20(23)13-19(18)27(21)17-9-7-16(8-10-17)11-12-24/h13-17H,7-11H2,1-6H3/t15-,16?,17?/m1/s1
InChIKeyBXYSWGFZQQKJHN-KLAILNCOSA-N
XLogP6.81
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.07
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile (CID 153288800) is 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile is C[C@@H](O[Si](C)(C)C(C)(C)C)c1nc2cnc(Cl)cc2n1C1CCC(CC#N)CC1.
What is the InChIKey of 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
The InChIKey is BXYSWGFZQQKJHN-KLAILNCOSA-N. The full InChI is InChI=1S/C22H33ClN4OSi/c1-15(28-29(5,6)22(2,3)4)21-26-18-14-25-20(23)13-19(18)27(21)17-9-7-16(8-10-17)11-12-24/h13-17H,7-11H2,1-6H3/t15-,16?,17?/m1/s1.
What are the key properties of 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile?
2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile has a molecular weight of 433.07 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-chloroimidazo[4,5-c]pyridin-1-yl]cyclohexyl]acetonitrile is sourced from PubChem (CID 153288800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).