1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H21N5O2 — CID 109070693

IUPAC1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc(C(=O)NCc3cccnc3)n3ccccc23)c1
InChIInChI=1S/C23H21N5O2/c1-15-8-9-16(2)18(12-15)26-22(29)20-19-7-3-4-11-28(19)21(27-20)23(30)25-14-17-6-5-10-24-13-17/h3-13H,14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyFRVXFOFVQNCYCL-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.53
Rot. Bonds5

About 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070693) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070693
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc(C(=O)NCc3cccnc3)n3ccccc23)c1
InChIInChI=1S/C23H21N5O2/c1-15-8-9-16(2)18(12-15)26-22(29)20-19-7-3-4-11-28(19)21(27-20)23(30)25-14-17-6-5-10-24-13-17/h3-13H,14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyFRVXFOFVQNCYCL-UHFFFAOYSA-N
XLogP3.53
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
1-N-(2-fluorophenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070701
3-N-butyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067318
1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067153
1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070680
3-N-[2-(dimethylamino)ethyl]-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069705
3-N-(2,5-dimethylphenyl)-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071259
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
3-N-[(3-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065876

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070693) is 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is Cc1ccc(C)c(NC(=O)c2nc(C(=O)NCc3cccnc3)n3ccccc23)c1.
What is the InChIKey of 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is FRVXFOFVQNCYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15-8-9-16(2)18(12-15)26-22(29)20-19-7-3-4-11-28(19)21(27-20)23(30)25-14-17-6-5-10-24-13-17/h3-13H,14H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).