5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

C16H16FN3O3 — CID 134070083

IUPAC5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCn1cnc2c1C(C(=O)O)CN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C16H16FN3O3/c1-19-9-18-13-8-20(7-12(15(13)19)16(22)23)14(21)6-10-3-2-4-11(17)5-10/h2-5,9,12H,6-8H2,1H3,(H,22,23)
InChIKeyORWVRSSDFAKEFL-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.31
Rot. Bonds3

About 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 134070083) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID134070083
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCn1cnc2c1C(C(=O)O)CN(C(=O)Cc1cccc(F)c1)C2
InChIInChI=1S/C16H16FN3O3/c1-19-9-18-13-8-20(7-12(15(13)19)16(22)23)14(21)6-10-3-2-4-11(17)5-10/h2-5,9,12H,6-8H2,1H3,(H,22,23)
InChIKeyORWVRSSDFAKEFL-UHFFFAOYSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid with MolForge

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Related Compounds

4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
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CID 97377913
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 131641109
2-(3-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662498
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
(4aS,8aR)-6-[2-(3-fluorophenyl)acetyl]-4-methyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110135701
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113081269
2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124811729
2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662541
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone;hydrochloride
CID 120749905

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 134070083) is 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is Cn1cnc2c1C(C(=O)O)CN(C(=O)Cc1cccc(F)c1)C2.
What is the InChIKey of 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is ORWVRSSDFAKEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-19-9-18-13-8-20(7-12(15(13)19)16(22)23)14(21)6-10-3-2-4-11(17)5-10/h2-5,9,12H,6-8H2,1H3,(H,22,23).
What are the key properties of 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 134070083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).