cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C15H23N3O2 — CID 70119888

IUPACcyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCCCC1c2nc[nH]c2CCN1C(=O)OC1CCCC1
InChIInChI=1S/C15H23N3O2/c1-2-5-13-14-12(16-10-17-14)8-9-18(13)15(19)20-11-6-3-4-7-11/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyDNCCWYCFTDZZPC-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.19
Rot. Bonds3

About cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 70119888) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID70119888
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namecyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCCCC1c2nc[nH]c2CCN1C(=O)OC1CCCC1
InChIInChI=1S/C15H23N3O2/c1-2-5-13-14-12(16-10-17-14)8-9-18(13)15(19)20-11-6-3-4-7-11/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyDNCCWYCFTDZZPC-UHFFFAOYSA-N
XLogP3.19
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate 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 cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 70119888) is cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is CCCC1c2nc[nH]c2CCN1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is DNCCWYCFTDZZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-5-13-14-12(16-10-17-14)8-9-18(13)15(19)20-11-6-3-4-7-11/h10-11,13H,2-9H2,1H3,(H,16,17).
What are the key properties of cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 70119888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).