ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid

C18H16N4O4 — CID 157472670

IUPACethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCCOC(=O)c1cccn2cncc12.O=C(O)c1cccn2cncc12
InChIInChI=1S/C10H10N2O2.C8H6N2O2/c1-2-14-10(13)8-4-3-5-12-7-11-6-9(8)12;11-8(12)6-2-1-3-10-5-9-4-7(6)10/h3-7H,2H2,1H3;1-5H,(H,11,12)
InChIKeyBVFOIXLIPICZNG-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.54
Rot. Bonds3

About ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid

ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 157472670) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Nameethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID157472670
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Nameethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCCOC(=O)c1cccn2cncc12.O=C(O)c1cccn2cncc12
InChIInChI=1S/C10H10N2O2.C8H6N2O2/c1-2-14-10(13)8-4-3-5-12-7-11-6-9(8)12;11-8(12)6-2-1-3-10-5-9-4-7(6)10/h3-7H,2H2,1H3;1-5H,(H,11,12)
InChIKeyBVFOIXLIPICZNG-UHFFFAOYSA-N
XLogP2.54
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 3-[(4-methylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359034
Methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299415
2-[1-(Oxan-4-ylmethyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145966243
2-[1-(3-Methoxypropyl)piperidin-4-yl]-5-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-1,3,4-oxadiazole
CID 145968234
Adenosine-5'-mononicotinate
CID 96777
Methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]pyridine-3-carboxylate
CID 57335649
Ethyl 6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridine-3-carboxylate
CID 58299657
methyl 2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 154620342
Methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359031

Frequently Asked Questions

What is the IUPAC name of ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid (CID 157472670) is ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid is CCOC(=O)c1cccn2cncc12.O=C(O)c1cccn2cncc12.
What is the InChIKey of ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is BVFOIXLIPICZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C8H6N2O2/c1-2-14-10(13)8-4-3-5-12-7-11-6-9(8)12;11-8(12)6-2-1-3-10-5-9-4-7(6)10/h3-7H,2H2,1H3;1-5H,(H,11,12).
What are the key properties of ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid?
ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 352.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl imidazo[1,5-a]pyridine-8-carboxylate;imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 157472670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).