3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H17FN4O2 — CID 109070297

IUPAC3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc(C(=O)NCc2ccccc2)n2ccccc12
InChIInChI=1S/C22H17FN4O2/c23-16-9-6-10-17(13-16)25-21(28)19-18-11-4-5-12-27(18)20(26-19)22(29)24-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,29)(H,25,28)
InChIKeyYNNMKLULVKEDFU-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.66
Rot. Bonds5

About 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070297) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070297
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1nc(C(=O)NCc2ccccc2)n2ccccc12
InChIInChI=1S/C22H17FN4O2/c23-16-9-6-10-17(13-16)25-21(28)19-18-11-4-5-12-27(18)20(26-19)22(29)24-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,29)(H,25,28)
InChIKeyYNNMKLULVKEDFU-UHFFFAOYSA-N
XLogP3.66
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-fluorophenyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071855
1-N-benzyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070239
1-N-(3-methylphenyl)-3-N-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070366
3-N-benzyl-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070283
1-N-(3-fluorophenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072012
1-N,1-N-diethyl-3-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070950
ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 165367492
3-N-benzyl-1-N-(2-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070292
3-N-[(4-fluorophenyl)methyl]-1-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070511
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
3-N-(furan-2-ylmethyl)-1-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070188
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070735

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070297) is 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(Nc1cccc(F)c1)c1nc(C(=O)NCc2ccccc2)n2ccccc12.
What is the InChIKey of 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YNNMKLULVKEDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-9-6-10-17(13-16)25-21(28)19-18-11-4-5-12-27(18)20(26-19)22(29)24-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,24,29)(H,25,28).
What are the key properties of 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).