5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C17H25N3O2 — CID 74238221

IUPAC5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CN1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C17H25N3O2/c1-12(2)5-4-6-13(3)7-8-20-10-15-14(18-11-19-15)9-16(20)17(21)22/h5,7,11,16H,4,6,8-10H2,1-3H3,(H,18,19)(H,21,22)/b13-7+
InChIKeyMFMLZHBCLMCXGL-NTUHNPAUSA-N
MW303.41 g/mol
LogP2.91
Rot. Bonds6

About 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 74238221) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID74238221
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CN1Cc2[nH]cnc2CC1C(=O)O
InChIInChI=1S/C17H25N3O2/c1-12(2)5-4-6-13(3)7-8-20-10-15-14(18-11-19-15)9-16(20)17(21)22/h5,7,11,16H,4,6,8-10H2,1-3H3,(H,18,19)(H,21,22)/b13-7+
InChIKeyMFMLZHBCLMCXGL-NTUHNPAUSA-N
XLogP2.91
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6R)-5-[(E)-3-phenylprop-2-enyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97283301
5-(2-methylpropoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343558
5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343333
5-(3-propoxypropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343332
5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342868
5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344032
(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
5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 103018952
5-(azetidine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342390
5-[2-(aminomethyl)-3-methylbutanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343788
5-(2-bromoprop-2-enylcarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 113465159
(6R)-5-[(2,3-difluoro-6-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97280624

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 74238221) is 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)=CCC/C(C)=C/CN1Cc2[nH]cnc2CC1C(=O)O.
What is the InChIKey of 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is MFMLZHBCLMCXGL-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)5-4-6-13(3)7-8-20-10-15-14(18-11-19-15)9-16(20)17(21)22/h5,7,11,16H,4,6,8-10H2,1-3H3,(H,18,19)(H,21,22)/b13-7+.
What are the key properties of 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 303.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 74238221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).