5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C15H23N3O3 — CID 79343333

IUPAC5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(CC(=O)N1Cc2[nH]cnc2CC1C(=O)O)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-9(15(2,3)4)5-13(19)18-7-11-10(16-8-17-11)6-12(18)14(20)21/h8-9,12H,5-7H2,1-4H3,(H,16,17)(H,20,21)
InChIKeyCOCDJZVWFAOSCC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.82
Rot. Bonds3

About 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79343333) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79343333
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(CC(=O)N1Cc2[nH]cnc2CC1C(=O)O)C(C)(C)C
InChIInChI=1S/C15H23N3O3/c1-9(15(2,3)4)5-13(19)18-7-11-10(16-8-17-11)6-12(18)14(20)21/h8-9,12H,5-7H2,1-4H3,(H,16,17)(H,20,21)
InChIKeyCOCDJZVWFAOSCC-UHFFFAOYSA-N
XLogP1.82
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79343333) is 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(CC(=O)N1Cc2[nH]cnc2CC1C(=O)O)C(C)(C)C.
What is the InChIKey of 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is COCDJZVWFAOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(15(2,3)4)5-13(19)18-7-11-10(16-8-17-11)6-12(18)14(20)21/h8-9,12H,5-7H2,1-4H3,(H,16,17)(H,20,21).
What are the key properties of 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79343333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).