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

C15H15F2N3O3 — CID 97280624

IUPAC(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(F)c(F)c1CN1Cc2[nH]cnc2C[C@@H]1C(=O)O
InChIInChI=1S/C15H15F2N3O3/c1-23-13-3-2-9(16)14(17)8(13)5-20-6-11-10(18-7-19-11)4-12(20)15(21)22/h2-3,7,12H,4-6H2,1H3,(H,18,19)(H,21,22)/t12-/m1/s1
InChIKeyRTLUMFOAAGTKLZ-GFCCVEGCSA-N
MW323.30 g/mol
LogP1.71
Rot. Bonds4

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

(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97280624) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID97280624
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(F)c(F)c1CN1Cc2[nH]cnc2C[C@@H]1C(=O)O
InChIInChI=1S/C15H15F2N3O3/c1-23-13-3-2-9(16)14(17)8(13)5-20-6-11-10(18-7-19-11)4-12(20)15(21)22/h2-3,7,12H,4-6H2,1H3,(H,18,19)(H,21,22)/t12-/m1/s1
InChIKeyRTLUMFOAAGTKLZ-GFCCVEGCSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95883032
(6R)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97270889
(6S)-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97270890
5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72860917
(6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 125444998
(6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97283301
5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 103018952
5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 74238221
(6R)-5-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97272477
5-[(4-methoxyphenyl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403645
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxopyrrolidine-2-carboxylic acid
CID 82122955

Frequently Asked Questions

What is the IUPAC name of (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97280624) is (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc(F)c(F)c1CN1Cc2[nH]cnc2C[C@@H]1C(=O)O.
What is the InChIKey of (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is RTLUMFOAAGTKLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-23-13-3-2-9(16)14(17)8(13)5-20-6-11-10(18-7-19-11)4-12(20)15(21)22/h2-3,7,12H,4-6H2,1H3,(H,18,19)(H,21,22)/t12-/m1/s1.
What are the key properties of (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97280624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).