[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol

C23H36N2O2Si — CID 140850623

IUPAC[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C(O)c2c(C3CC3)ccn3cncc23)CC1
InChIInChI=1S/C23H36N2O2Si/c1-23(2,3)28(4,5)27-18-10-8-17(9-11-18)22(26)21-19(16-6-7-16)12-13-25-15-24-14-20(21)25/h12-18,22,26H,6-11H2,1-5H3
InChIKeyCXGHNSZCYNNTGW-UHFFFAOYSA-N
MW400.64 g/mol
LogP5.83
Rot. Bonds5

About [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol

[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol (PubChem CID 140850623) has the molecular formula C23H36N2O2Si and a molecular weight of 400.64 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
PubChem CID140850623
Molecular FormulaC23H36N2O2Si
Molecular Weight400.64 g/mol
Exact Mass400.25
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C(O)c2c(C3CC3)ccn3cncc23)CC1
InChIInChI=1S/C23H36N2O2Si/c1-23(2,3)28(4,5)27-18-10-8-17(9-11-18)22(26)21-19(16-6-7-16)12-13-25-15-24-14-20(21)25/h12-18,22,26H,6-11H2,1-5H3
InChIKeyCXGHNSZCYNNTGW-UHFFFAOYSA-N
XLogP5.83
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 55.83
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

4-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexan-1-ol
CID 122605011
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(oxan-4-yl)methanol
CID 155329615
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(furan-3-yl)cyclohexyl]methanol
CID 134381555
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(3-methylphenyl)cyclohexyl]methanol
CID 134381079
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
CID 134381351
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-phenylpiperidin-4-yl)methanol
CID 159413403
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-2-ylcyclohexyl)methanol
CID 134381560
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-quinolin-5-ylcyclohexyl)methanol
CID 134381125
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-pyridin-3-ylpiperidin-4-yl)methanol
CID 134381744
(1R)-2-cyclohexyl-1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)ethanol
CID 134337836
[4-(4-chlorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol;dohecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontayne
CID 159812288
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol
CID 142308232

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol (CID 140850623) is [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol is CC(C)(C)[Si](C)(C)OC1CCC(C(O)c2c(C3CC3)ccn3cncc23)CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
The InChIKey is CXGHNSZCYNNTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2Si/c1-23(2,3)28(4,5)27-18-10-8-17(9-11-18)22(26)21-19(16-6-7-16)12-13-25-15-24-14-20(21)25/h12-18,22,26H,6-11H2,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol?
[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol has a molecular weight of 400.64 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanol is sourced from PubChem (CID 140850623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).