3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H21FN4O2 — CID 109071542

IUPAC3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2ccccc2F)c2ccccn12
InChIInChI=1S/C20H21FN4O2/c1-3-4-12-24(2)20(27)18-23-17(16-11-7-8-13-25(16)18)19(26)22-15-10-6-5-9-14(15)21/h5-11,13H,3-4,12H2,1-2H3,(H,22,26)
InChIKeyLMLKDDLWHHHYOW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.60
Rot. Bonds6

About 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071542) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109071542
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)Nc2ccccc2F)c2ccccn12
InChIInChI=1S/C20H21FN4O2/c1-3-4-12-24(2)20(27)18-23-17(16-11-7-8-13-25(16)18)19(26)22-15-10-6-5-9-14(15)21/h5-11,13H,3-4,12H2,1-2H3,(H,22,26)
InChIKeyLMLKDDLWHHHYOW-UHFFFAOYSA-N
XLogP3.60
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-butyl-1-N-(2,4-dimethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071529
3-N-butyl-1-N-(4-ethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071536
3-N-butyl-3-N-methyl-1-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071524
3-N-butyl-1-N-(4-ethoxyphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071555
1-N,3-N-dibutyl-1-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067304
3-N-butyl-1-N-cycloheptyl-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071214
3-N-(2-fluorophenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067464
3-N-butyl-3-N-methyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070647
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445
N-butyl-N-methyl-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067949
1-N-(2-methylphenyl)-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071416
3-(4-ethylpiperazine-1-carbonyl)-N-(2-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070037

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071542) is 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCN(C)C(=O)c1nc(C(=O)Nc2ccccc2F)c2ccccn12.
What is the InChIKey of 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is LMLKDDLWHHHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-3-4-12-24(2)20(27)18-23-17(16-11-7-8-13-25(16)18)19(26)22-15-10-6-5-9-14(15)21/h5-11,13H,3-4,12H2,1-2H3,(H,22,26).
What are the key properties of 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-(2-fluorophenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).