(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C17H17FN4O4 — CID 95893975

IUPAC(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(NCCC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)O)c1ccccc1F
InChIInChI=1S/C17H17FN4O4/c18-11-4-2-1-3-10(11)16(24)19-7-5-13(23)22-8-6-12-14(21-9-20-12)15(22)17(25)26/h1-4,9,15H,5-8H2,(H,19,24)(H,20,21)(H,25,26)/t15-/m1/s1
InChIKeyNHYHTMBOIIAILR-OAHLLOKOSA-N
MW360.35 g/mol
LogP0.88
Rot. Bonds5

About (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95893975) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95893975
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(NCCC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)O)c1ccccc1F
InChIInChI=1S/C17H17FN4O4/c18-11-4-2-1-3-10(11)16(24)19-7-5-13(23)22-8-6-12-14(21-9-20-12)15(22)17(25)26/h1-4,9,15H,5-8H2,(H,19,24)(H,20,21)(H,25,26)/t15-/m1/s1
InChIKeyNHYHTMBOIIAILR-OAHLLOKOSA-N
XLogP0.88
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide
CID 118778125
(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95883032
2-fluoro-N-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]benzamide
CID 46983091
2-[[(4R)-4-(4-chlorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51971957
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
methyl 2-[[(4S)-4-(2,4-difluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29140414
(4S)-5-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95897904
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
cyclopentyl 4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 70119630
(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
3-[[(4R)-4-[2-(trifluoromethoxy)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51971678

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95893975) is (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(NCCC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)O)c1ccccc1F.
What is the InChIKey of (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is NHYHTMBOIIAILR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17FN4O4/c18-11-4-2-1-3-10(11)16(24)19-7-5-13(23)22-8-6-12-14(21-9-20-12)15(22)17(25)26/h1-4,9,15H,5-8H2,(H,19,24)(H,20,21)(H,25,26)/t15-/m1/s1.
What are the key properties of (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 360.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95893975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).