3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H15F3N4O2 — CID 109067079

IUPAC3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn12
InChIInChI=1S/C19H15F3N4O2/c1-2-10-23-18(28)16-25-15(14-9-5-6-11-26(14)16)17(27)24-13-8-4-3-7-12(13)19(20,21)22/h2-9,11H,1,10H2,(H,23,28)(H,24,27)
InChIKeyBFOGKRLMBIDHGF-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.52
Rot. Bonds5

About 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067079) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067079
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESC=CCNC(=O)c1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn12
InChIInChI=1S/C19H15F3N4O2/c1-2-10-23-18(28)16-25-15(14-9-5-6-11-26(14)16)17(27)24-13-8-4-3-7-12(13)19(20,21)22/h2-9,11H,1,10H2,(H,23,28)(H,24,27)
InChIKeyBFOGKRLMBIDHGF-UHFFFAOYSA-N
XLogP3.52
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
methyl 2-[[3-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109067086
1-N-(4-methylphenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067033
1-N-(3,4-difluorophenyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067115
1-N-prop-2-enyl-3-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066836
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
1-N-(3-phenylpropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067017
methyl 4-[[1-(prop-2-enylcarbamoyl)imidazo[1,5-a]pyridine-3-carbonyl]amino]benzoate
CID 109066929
1-(azepane-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-3-carboxamide
CID 109067029
3-N-(3-bromophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066935
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377

Frequently Asked Questions

What is the IUPAC name of 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067079) is 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is C=CCNC(=O)c1nc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn12.
What is the InChIKey of 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is BFOGKRLMBIDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-2-10-23-18(28)16-25-15(14-9-5-6-11-26(14)16)17(27)24-13-8-4-3-7-12(13)19(20,21)22/h2-9,11H,1,10H2,(H,23,28)(H,24,27).
What are the key properties of 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-prop-2-enyl-1-N-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).