methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

C15H15N3O3 — CID 74508494

IUPACmethyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)13-7-11-12(17-9-16-11)8-18(13)14(19)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,16,17)
InChIKeyBROCUSLQCFJHJZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.15
Rot. Bonds2

About methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 74508494) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID74508494
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)13-7-11-12(17-9-16-11)8-18(13)14(19)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,16,17)
InChIKeyBROCUSLQCFJHJZ-UHFFFAOYSA-N
XLogP1.15
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 74508493
methyl (6S)-5-benzoyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745510
methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 45228699
methyl (6S)-5-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 95210195
5-(1-benzylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72856408
(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97434426
methyl 5-[3-(1-methylpiperidin-4-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 56859864
5-(6-chloropyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344437
methyl (6R)-5-benzoyl-3-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 162959512
methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 25317673
5-[(4-methoxyphenyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403645
(6S)-5-(1-propan-2-ylpyrrole-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 125174270

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (CID 74508494) is methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2nc[nH]c2CN1C(=O)c1ccccc1.
What is the InChIKey of methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is BROCUSLQCFJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)13-7-11-12(17-9-16-11)8-18(13)14(19)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,16,17).
What are the key properties of methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 74508494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).