methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate

C22H16N2O3 — CID 163207395

IUPACmethyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2nc(-c3ccccc3)c3ccccn23)cc1
InChIInChI=1S/C22H16N2O3/c1-27-22(26)17-12-10-16(11-13-17)20(25)21-23-19(15-7-3-2-4-8-15)18-9-5-6-14-24(18)21/h2-14H,1H3
InChIKeyJNDIDEDVMRVBOO-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.02
Rot. Bonds4

About methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate

methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate (PubChem CID 163207395) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
PubChem CID163207395
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Namemethyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)c2nc(-c3ccccc3)c3ccccn23)cc1
InChIInChI=1S/C22H16N2O3/c1-27-22(26)17-12-10-16(11-13-17)20(25)21-23-19(15-7-3-2-4-8-15)18-9-5-6-14-24(18)21/h2-14H,1H3
InChIKeyJNDIDEDVMRVBOO-UHFFFAOYSA-N
XLogP4.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)-(1-phenylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207391
N-[2-methoxy-4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)phenyl]propanamide
CID 141153602
3-[3-(4-amino-3-methoxybenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 67216234
phenyl-(1-pyridin-2-ylimidazo[1,5-a]pyridin-3-yl)methanone
CID 163207383
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 171922177
[3-(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl] 4-methylbenzoate
CID 21178049
1-(4-chlorophenyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 134790691
4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 121472971
methyl 2-phenylazulene-6-carboxylate
CID 23257786
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate?
The IUPAC name of methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate (CID 163207395) is methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate.
What is the SMILES notation for methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate?
The canonical SMILES for methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate is COC(=O)c1ccc(C(=O)c2nc(-c3ccccc3)c3ccccn23)cc1.
What is the InChIKey of methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate?
The InChIKey is JNDIDEDVMRVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-27-22(26)17-12-10-16(11-13-17)20(25)21-23-19(15-7-3-2-4-8-15)18-9-5-6-14-24(18)21/h2-14H,1H3.
What are the key properties of methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate?
methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate has a molecular weight of 356.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-phenylimidazo[1,5-a]pyridine-3-carbonyl)benzoate is sourced from PubChem (CID 163207395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).