(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C15H15F2N3O3 — CID 95883032

IUPAC(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCOc1ccc(F)c(F)c1CN1CCc2[nH]cnc2[C@@H]1C(=O)O
InChIInChI=1S/C15H15F2N3O3/c1-23-11-3-2-9(16)12(17)8(11)6-20-5-4-10-13(19-7-18-10)14(20)15(21)22/h2-3,7,14H,4-6H2,1H3,(H,18,19)(H,21,22)/t14-/m1/s1
InChIKeyOMMDSGXGFFFPRS-CQSZACIVSA-N
MW323.30 g/mol
LogP1.88
Rot. Bonds4

About (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95883032) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID95883032
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCOc1ccc(F)c(F)c1CN1CCc2[nH]cnc2[C@@H]1C(=O)O
InChIInChI=1S/C15H15F2N3O3/c1-23-11-3-2-9(16)12(17)8(11)6-20-5-4-10-13(19-7-18-10)14(20)15(21)22/h2-3,7,14H,4-6H2,1H3,(H,18,19)(H,21,22)/t14-/m1/s1
InChIKeyOMMDSGXGFFFPRS-CQSZACIVSA-N
XLogP1.88
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97280624
(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 99928674
(4S)-5-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95897904
(4R)-5-[(3-pyridin-2-ylphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95867307
(4R)-5-[3-[(2-fluorobenzoyl)amino]propanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95893975
(1S,5R)-6-[(2,3-difluoro-6-methoxyphenyl)methyl]-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72863275
(4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95866736
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 72885565
3-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
CID 56884989
2-[4-[(2,3-difluoro-6-methoxyphenyl)methyl]morpholin-3-yl]-1-(2,5-dihydropyrrol-1-yl)ethanone
CID 56881885
5-(5-ethylsulfanylthiophene-2-carbonyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 72908044
methyl 2-[[4-(2,3,4-trifluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42651432

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95883032) is (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is COc1ccc(F)c(F)c1CN1CCc2[nH]cnc2[C@@H]1C(=O)O.
What is the InChIKey of (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is OMMDSGXGFFFPRS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-23-11-3-2-9(16)12(17)8(11)6-20-5-4-10-13(19-7-18-10)14(20)15(21)22/h2-3,7,14H,4-6H2,1H3,(H,18,19)(H,21,22)/t14-/m1/s1.
What are the key properties of (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95883032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).