1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

C17H26N4O3 — CID 155872435

IUPAC1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCOCCNC(=O)C1CCc2c(C(=O)NC3CCCC3)ncn2C1
InChIInChI=1S/C17H26N4O3/c1-24-9-8-18-16(22)12-6-7-14-15(19-11-21(14)10-12)17(23)20-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyTUZNKYSVWZBINV-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.88
Rot. Bonds6

About 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (PubChem CID 155872435) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
PubChem CID155872435
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCOCCNC(=O)C1CCc2c(C(=O)NC3CCCC3)ncn2C1
InChIInChI=1S/C17H26N4O3/c1-24-9-8-18-16(22)12-6-7-14-15(19-11-21(14)10-12)17(23)20-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyTUZNKYSVWZBINV-UHFFFAOYSA-N
XLogP0.88
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (CID 155872435) is 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is COCCNC(=O)C1CCc2c(C(=O)NC3CCCC3)ncn2C1.
What is the InChIKey of 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The InChIKey is TUZNKYSVWZBINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-9-8-18-16(22)12-6-7-14-15(19-11-21(14)10-12)17(23)20-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23).
What are the key properties of 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is sourced from PubChem (CID 155872435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).