(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate

C18H17N3O3 — CID 75497496

IUPAC(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(=O)NCC(OC(=O)c1ccn2cncc2c1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-13(22)20-11-17(14-5-3-2-4-6-14)24-18(23)15-7-8-21-12-19-10-16(21)9-15/h2-10,12,17H,11H2,1H3,(H,20,22)
InChIKeyFGWRHKWREPPFFN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.37
Rot. Bonds5

About (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate

(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 75497496) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID75497496
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate
SMILESCC(=O)NCC(OC(=O)c1ccn2cncc2c1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-13(22)20-11-17(14-5-3-2-4-6-14)24-18(23)15-7-8-21-12-19-10-16(21)9-15/h2-10,12,17H,11H2,1H3,(H,20,22)
InChIKeyFGWRHKWREPPFFN-UHFFFAOYSA-N
XLogP2.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] imidazo[1,5-a]pyridine-7-carboxylate
CID 97253373
N-[3-(diethylamino)propyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 110476308
N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 97249669
(2-acetamido-1-phenylethyl) 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate
CID 91652114
N-(3-acetylphenyl)imidazo[1,5-a]pyridine-7-carboxamide
CID 84578226
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 112529622
[(3R)-1-methylpyrrolidin-3-yl]methyl imidazo[1,5-a]pyridine-7-carboxylate
CID 99794842
propan-2-yl 2-phenylindolizine-7-carboxylate
CID 175803341
1-phenylhexyl benzoate
CID 57263824
ethyl 3-[[(2S)-2-acetyloxy-2-phenylethyl]amino]-3-oxopropanoate
CID 124895899
(3-imidazol-1-yl-1-phenylpropyl) 4-aminobenzoate
CID 56837881

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate (CID 75497496) is (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate is CC(=O)NCC(OC(=O)c1ccn2cncc2c1)c1ccccc1.
What is the InChIKey of (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is FGWRHKWREPPFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13(22)20-11-17(14-5-3-2-4-6-14)24-18(23)15-7-8-21-12-19-10-16(21)9-15/h2-10,12,17H,11H2,1H3,(H,20,22).
What are the key properties of (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate?
(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 75497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).