methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid

C61H48N6O8 — CID 158596879

IUPACmethyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOC(=O)c1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(Cc1ccc(C(=O)O)cc1)Cc1c(-c2ccccc2)ccc2cncn12.O=C(O)c1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C24H20N2O3.C23H18N2O3.C14H10N2O2/c1-29-24(28)19-9-7-17(8-10-19)13-21(27)14-23-22(18-5-3-2-4-6-18)12-11-20-15-25-16-26(20)23;26-20(12-16-6-8-18(9-7-16)23(27)28)13-22-21(17-4-2-1-3-5-17)11-10-19-14-24-15-25(19)22;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h2-12,15-16H,13-14H2,1H3;1-11,14-15H,12-13H2,(H,27,28);1-9H,(H,17,18)
InChIKeyHVDKYMKDGQWVEK-UHFFFAOYSA-N
MW993.09 g/mol
LogP10.90
Rot. Bonds14

About methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid

methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 158596879) has the molecular formula C61H48N6O8 and a molecular weight of 993.09 g/mol. Its IUPAC name is methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Namemethyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID158596879
Molecular FormulaC61H48N6O8
Molecular Weight993.09 g/mol
Exact Mass992.35
IUPAC Namemethyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCOC(=O)c1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(Cc1ccc(C(=O)O)cc1)Cc1c(-c2ccccc2)ccc2cncn12.O=C(O)c1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C24H20N2O3.C23H18N2O3.C14H10N2O2/c1-29-24(28)19-9-7-17(8-10-19)13-21(27)14-23-22(18-5-3-2-4-6-18)12-11-20-15-25-16-26(20)23;26-20(12-16-6-8-18(9-7-16)23(27)28)13-22-21(17-4-2-1-3-5-17)11-10-19-14-24-15-25(19)22;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h2-12,15-16H,13-14H2,1H3;1-11,14-15H,12-13H2,(H,27,28);1-9H,(H,17,18)
InChIKeyHVDKYMKDGQWVEK-UHFFFAOYSA-N
XLogP10.90
TPSA186.94 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.09
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

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CID 44578357
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CID 73336088
PSJ-2510-up
CID 139095417
1-amino-5,5,5-trifluoropentan-2-one;methyl 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 123960519
Methyl 4-(1-(2-(1H-benzo[d]imidazol-1-yl)ethyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
CID 131743107
2-[[(3R,4R)-3-fluoro-4-[1-[4-(4-methoxycarbonylphenyl)phenyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid
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2-[[(3S)-3-[1-[4-(4-methoxycarbonylphenyl)phenyl]-2-oxo-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid
CID 156267762
2-[[3-[1-[4-(4-Methoxycarbonylphenyl)phenyl]-2-oxo-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylic acid
CID 156267765
Magnesium;cyclohexane;cyclohexyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(trifluoromethyl)imidazo[1,5-a]pyridine-5-carbaldehyde;[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;chloride
CID 157525836
Bis(1-benzyl-2-phenyl-4,5-dihydroimidazole);bis(2-(2,4-difluorobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole);2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;tris(4-hydroxypent-3-en-2-one);dodecakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;methane;2-(4-methoxybenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4,5-dihydroimidazole;tris(1-methyl-2-phenyl-4,5-dihydroimidazole);1-phenyl-2-phenyl-4,5-dihydroimidazole;tris(pyridine-2-carboxylic acid)
CID 158086165
Ethyl 2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
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4-[6-Ethenyl-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;methyl 4-[6-ethenyl-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 158321835

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid (CID 158596879) is methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid is COC(=O)c1ccc(CC(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(Cc1ccc(C(=O)O)cc1)Cc1c(-c2ccccc2)ccc2cncn12.O=C(O)c1c(-c2ccccc2)ccc2cncn12.
What is the InChIKey of methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is HVDKYMKDGQWVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3.C23H18N2O3.C14H10N2O2/c1-29-24(28)19-9-7-17(8-10-19)13-21(27)14-23-22(18-5-3-2-4-6-18)12-11-20-15-25-16-26(20)23;26-20(12-16-6-8-18(9-7-16)23(27)28)13-22-21(17-4-2-1-3-5-17)11-10-19-14-24-15-25(19)22;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h2-12,15-16H,13-14H2,1H3;1-11,14-15H,12-13H2,(H,27,28);1-9H,(H,17,18).
What are the key properties of methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 993.09 g/mol, XLogP of 10.90, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 158596879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).