6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde

C57H67BrN8O4Si2 — CID 158785662

IUPAC6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESC.C#Cc1ccc2cncn2c1C(O)C1CCCCC1.C[Si](C)(C)C#Cc1ccc2cncn2c1C(O)C1CCCCC1.C[Si](C)(C)C#Cc1ccc2cncn2c1C=O.O=Cc1c(Br)ccc2cncn12
InChIInChI=1S/C19H26N2OSi.C16H18N2O.C13H14N2OSi.C8H5BrN2O.CH4/c1-23(2,3)12-11-15-9-10-17-13-20-14-21(17)18(15)19(22)16-7-5-4-6-8-16;1-2-12-8-9-14-10-17-11-18(14)15(12)16(19)13-6-4-3-5-7-13;1-17(2,3)7-6-11-4-5-12-8-14-10-15(12)13(11)9-16;9-7-2-1-6-3-10-5-11(6)8(7)4-12;/h9-10,13-14,16,19,22H,4-8H2,1-3H3;1,8-11,13,16,19H,3-7H2;4-5,8-10H,1-3H3;1-5H;1H4
InChIKeyIRQNIHKZTBDKDO-UHFFFAOYSA-N
MW1064.29 g/mol
LogP12.03
Rot. Bonds6

About 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde

6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 158785662) has the molecular formula C57H67BrN8O4Si2 and a molecular weight of 1064.29 g/mol. Its IUPAC name is 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID158785662
Molecular FormulaC57H67BrN8O4Si2
Molecular Weight1064.29 g/mol
Exact Mass1062.40
IUPAC Name6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESC.C#Cc1ccc2cncn2c1C(O)C1CCCCC1.C[Si](C)(C)C#Cc1ccc2cncn2c1C(O)C1CCCCC1.C[Si](C)(C)C#Cc1ccc2cncn2c1C=O.O=Cc1c(Br)ccc2cncn12
InChIInChI=1S/C19H26N2OSi.C16H18N2O.C13H14N2OSi.C8H5BrN2O.CH4/c1-23(2,3)12-11-15-9-10-17-13-20-14-21(17)18(15)19(22)16-7-5-4-6-8-16;1-2-12-8-9-14-10-17-11-18(14)15(12)16(19)13-6-4-3-5-7-13;1-17(2,3)7-6-11-4-5-12-8-14-10-15(12)13(11)9-16;9-7-2-1-6-3-10-5-11(6)8(7)4-12;/h9-10,13-14,16,19,22H,4-8H2,1-3H3;1,8-11,13,16,19H,3-7H2;4-5,8-10H,1-3H3;1-5H;1H4
InChIKeyIRQNIHKZTBDKDO-UHFFFAOYSA-N
XLogP12.03
TPSA143.80 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001064.29
LogP ≤ 512.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde with MolForge

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Related Compounds

Magnesium;cyclohexane;cyclohexyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(trifluoromethyl)imidazo[1,5-a]pyridine-5-carbaldehyde;[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;chloride
CID 157525836
6-Bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate
CID 159026670
Magnesium;cyclohexane;cyclohexyl-(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;8-fluoroimidazo[1,5-a]pyridine-5-carbaldehyde;(8-fluoroimidazo[1,5-a]pyridin-5-yl)methanol;methane;chloride
CID 159613862
6-Bromoimidazo[1,5-a]pyridine-5-carbaldehyde;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate;ethyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methane
CID 160188406
(6-Bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanone;cyclohexyl-(6-methylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-(6-methylimidazo[1,5-a]pyridin-5-yl)methanone;methane
CID 160750506
Magnesium;(4-bromocyclohexyl)oxy-trimethylsilane;bromo(trimethyl)silane;cyclohexyloxy(trimethyl)silane;6-cyclopropylimidazo[1,5-a]pyridine-5-carbaldehyde;4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexan-1-ol;methane;7-oxabicyclo[2.2.1]heptane;bromide
CID 160811480
6-Bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 161534396
Magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;imidazo[1,5-a]pyridin-5-ylmethanol;methane;chloride
CID 162037272

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde (CID 158785662) is 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde is C.C#Cc1ccc2cncn2c1C(O)C1CCCCC1.C[Si](C)(C)C#Cc1ccc2cncn2c1C(O)C1CCCCC1.C[Si](C)(C)C#Cc1ccc2cncn2c1C=O.O=Cc1c(Br)ccc2cncn12.
What is the InChIKey of 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is IRQNIHKZTBDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OSi.C16H18N2O.C13H14N2OSi.C8H5BrN2O.CH4/c1-23(2,3)12-11-15-9-10-17-13-20-14-21(17)18(15)19(22)16-7-5-4-6-8-16;1-2-12-8-9-14-10-17-11-18(14)15(12)16(19)13-6-4-3-5-7-13;1-17(2,3)7-6-11-4-5-12-8-14-10-15(12)13(11)9-16;9-7-2-1-6-3-10-5-11(6)8(7)4-12;/h9-10,13-14,16,19,22H,4-8H2,1-3H3;1,8-11,13,16,19H,3-7H2;4-5,8-10H,1-3H3;1-5H;1H4.
What are the key properties of 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 1064.29 g/mol, XLogP of 12.03, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,5-a]pyridine-5-carbaldehyde;cyclohexyl-(6-ethynylimidazo[1,5-a]pyridin-5-yl)methanol;cyclohexyl-[6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(2-trimethylsilylethynyl)imidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 158785662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).