1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H27N5O2 — CID 109069806

IUPAC1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2nc(C(=O)NCCCN(C)C)c3ccccn23)cc1
InChIInChI=1S/C22H27N5O2/c1-4-16-9-11-17(12-10-16)24-22(29)20-25-19(18-8-5-6-15-27(18)20)21(28)23-13-7-14-26(2)3/h5-6,8-12,15H,4,7,13-14H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyAGDNRWFLZVVJSB-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.83
Rot. Bonds8

About 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109069806) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109069806
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2nc(C(=O)NCCCN(C)C)c3ccccn23)cc1
InChIInChI=1S/C22H27N5O2/c1-4-16-9-11-17(12-10-16)24-22(29)20-25-19(18-8-5-6-15-27(18)20)21(28)23-13-7-14-26(2)3/h5-6,8-12,15H,4,7,13-14H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyAGDNRWFLZVVJSB-UHFFFAOYSA-N
XLogP2.83
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-N-(4-ethylphenyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068925
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069795
1-N-[2-(dimethylamino)ethyl]-3-N-(4-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069629
3-N-(4-chlorophenyl)-1-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069632
3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
1-N-[2-(dimethylamino)ethyl]-3-N-(4-ethoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069641
3-N-(4-ethylphenyl)-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066252
1-N-tert-butyl-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071079
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
1-N-(4-ethylphenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072008
1-N-butyl-3-N-(4-tert-butylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067203
3-N-(4-chlorophenyl)-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071385

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109069806) is 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCc1ccc(NC(=O)c2nc(C(=O)NCCCN(C)C)c3ccccn23)cc1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is AGDNRWFLZVVJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-16-9-11-17(12-10-16)24-22(29)20-25-19(18-8-5-6-15-27(18)20)21(28)23-13-7-14-26(2)3/h5-6,8-12,15H,4,7,13-14H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-3-N-(4-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109069806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).