(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate

C17H15N3O3 — CID 99781082

IUPAC(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(=O)Nc1cccc(COC(=O)c2ccn3cncc3c2)c1
InChIInChI=1S/C17H15N3O3/c1-12(21)19-15-4-2-3-13(7-15)10-23-17(22)14-5-6-20-11-18-9-16(20)8-14/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRQWMJUHRMPKIPC-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds4

About (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate

(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 99781082) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID99781082
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(=O)Nc1cccc(COC(=O)c2ccn3cncc3c2)c1
InChIInChI=1S/C17H15N3O3/c1-12(21)19-15-4-2-3-13(7-15)10-23-17(22)14-5-6-20-11-18-9-16(20)8-14/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRQWMJUHRMPKIPC-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)imidazo[1,5-a]pyridine-7-carboxamide
CID 84578226
(5-tert-butyl-1,3-oxazol-2-yl)methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 75483262
(3-nitrophenyl)methyl 3-acetamidobenzoate
CID 2582139
(3-acetamidophenyl)methyl 4-indol-1-ylbenzoate
CID 167905028
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
CID 18099607
ethyl 3-acetamidobenzoate
CID 700589
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamidobenzoate
CID 78760953
(3,4-dichlorophenyl)methyl 3-(2-methylpropanoylamino)benzoate
CID 1306190
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762

Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate (CID 99781082) is (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate is CC(=O)Nc1cccc(COC(=O)c2ccn3cncc3c2)c1.
What is the InChIKey of (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is RQWMJUHRMPKIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12(21)19-15-4-2-3-13(7-15)10-23-17(22)14-5-6-20-11-18-9-16(20)8-14/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate?
(3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl)methyl imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 99781082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).