ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate

C24H27BrN2O3 — CID 164567258

IUPACethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CCC(COCc4ccccc4)CC3)cn2cc1Br
InChIInChI=1S/C24H27BrN2O3/c1-2-30-24(28)20-12-23-26-22(14-27(23)13-21(20)25)19-10-8-18(9-11-19)16-29-15-17-6-4-3-5-7-17/h3-7,12-14,18-19H,2,8-11,15-16H2,1H3
InChIKeySFNTURRMLRWMCM-UHFFFAOYSA-N
MW471.40 g/mol
LogP5.76
Rot. Bonds7

About ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate

ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 164567258) has the molecular formula C24H27BrN2O3 and a molecular weight of 471.40 g/mol. Its IUPAC name is ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID164567258
Molecular FormulaC24H27BrN2O3
Molecular Weight471.40 g/mol
Exact Mass470.12
IUPAC Nameethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CCC(COCc4ccccc4)CC3)cn2cc1Br
InChIInChI=1S/C24H27BrN2O3/c1-2-30-24(28)20-12-23-26-22(14-27(23)13-21(20)25)19-10-8-18(9-11-19)16-29-15-17-6-4-3-5-7-17/h3-7,12-14,18-19H,2,8-11,15-16H2,1H3
InChIKeySFNTURRMLRWMCM-UHFFFAOYSA-N
XLogP5.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.40
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(phenylmethoxymethyl)cyclohexyl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 164568070
2-cyclopropyl-7-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155437086
ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
CID 175214507
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
3-O-benzyl 4-O-ethyl 6-(4-bromophenyl)-2-methylpyridine-3,4-dicarboxylate
CID 102497556
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
CID 129201855
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene
CID 166471814
benzyl 2-bromo-1-methylimidazole-4-carboxylate
CID 70980972
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 2-benzyl-5-cyclopropyl-1,2,4-triazole-3-carboxylate
CID 166121923

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 164567258) is ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate is CCOC(=O)c1cc2nc(C3CCC(COCc4ccccc4)CC3)cn2cc1Br.
What is the InChIKey of ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is SFNTURRMLRWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O3/c1-2-30-24(28)20-12-23-26-22(14-27(23)13-21(20)25)19-10-8-18(9-11-19)16-29-15-17-6-4-3-5-7-17/h3-7,12-14,18-19H,2,8-11,15-16H2,1H3.
What are the key properties of ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate?
ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 471.40 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 164567258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).