5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C15H21N5O2 — CID 72860917

IUPAC5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCCCc1ncc(CN2Cc3[nH]cnc3CC2C(=O)O)[nH]1
InChIInChI=1S/C15H21N5O2/c1-2-3-4-14-16-6-10(19-14)7-20-8-12-11(17-9-18-12)5-13(20)15(21)22/h6,9,13H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)(H,21,22)
InChIKeyMGTLNIRPJXTXHO-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.49
Rot. Bonds6

About 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72860917) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72860917
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCCCc1ncc(CN2Cc3[nH]cnc3CC2C(=O)O)[nH]1
InChIInChI=1S/C15H21N5O2/c1-2-3-4-14-16-6-10(19-14)7-20-8-12-11(17-9-18-12)5-13(20)15(21)22/h6,9,13H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)(H,21,22)
InChIKeyMGTLNIRPJXTXHO-UHFFFAOYSA-N
XLogP1.49
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72860917) is 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCCCc1ncc(CN2Cc3[nH]cnc3CC2C(=O)O)[nH]1.
What is the InChIKey of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is MGTLNIRPJXTXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-3-4-14-16-6-10(19-14)7-20-8-12-11(17-9-18-12)5-13(20)15(21)22/h6,9,13H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)(H,21,22).
What are the key properties of 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 303.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butyl-1H-imidazol-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72860917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).