1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C16H19N3O3 — CID 21249250

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c2CC(C(=O)O)NC3)cc1C
InChIInChI=1S/C16H19N3O3/c1-10-5-11(3-4-15(10)22-2)8-19-9-18-13-7-17-12(16(20)21)6-14(13)19/h3-5,9,12,17H,6-8H2,1-2H3,(H,20,21)
InChIKeyURWNYPNXPOYKMK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.35
Rot. Bonds4

About 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 21249250) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID21249250
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c2CC(C(=O)O)NC3)cc1C
InChIInChI=1S/C16H19N3O3/c1-10-5-11(3-4-15(10)22-2)8-19-9-18-13-7-17-12(16(20)21)6-14(13)19/h3-5,9,12,17H,6-8H2,1-2H3,(H,20,21)
InChIKeyURWNYPNXPOYKMK-UHFFFAOYSA-N
XLogP1.35
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

1-benzyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 14403762
1-[(4-methoxy-3-methylphenyl)methyl]-5-[methyl(phenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14457578
5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403545
(6S)-5-[2,2-bis(4-nitrophenyl)acetyl]-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 14403552
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid
CID 82301544
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
2-[4-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061983
2-[(4-methoxy-3-methylphenyl)methylsulfanyl]acetic acid
CID 931256
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazole-4-carboxylic acid
CID 82303624
2,6-dichloro-9-[(4-methoxy-3-methylphenyl)methyl]purine
CID 11151441
7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 15296734
(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol
CID 73442569

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 21249250) is 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc(Cn2cnc3c2CC(C(=O)O)NC3)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is URWNYPNXPOYKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-5-11(3-4-15(10)22-2)8-19-9-18-13-7-17-12(16(20)21)6-14(13)19/h3-5,9,12,17H,6-8H2,1-2H3,(H,20,21).
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 21249250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).