N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid

C21H18F4N4O4 — CID 166364368

IUPACN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)C1Cc2nccn2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17FN4O2.C2HF3O2/c20-15-2-4-16(5-3-15)26-18-6-1-13(10-22-18)11-23-19(25)14-9-17-21-7-8-24(17)12-14;3-2(4,5)1(6)7/h1-8,10,14H,9,11-12H2,(H,23,25);(H,6,7)
InChIKeyAZVGDLXGFHIUBI-UHFFFAOYSA-N
MW466.39 g/mol
LogP3.33
Rot. Bonds5

About N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid

N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166364368) has the molecular formula C21H18F4N4O4 and a molecular weight of 466.39 g/mol. Its IUPAC name is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166364368
Molecular FormulaC21H18F4N4O4
Molecular Weight466.39 g/mol
Exact Mass466.13
IUPAC NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)C1Cc2nccn2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17FN4O2.C2HF3O2/c20-15-2-4-16(5-3-15)26-18-6-1-13(10-22-18)11-23-19(25)14-9-17-21-7-8-24(17)12-14;3-2(4,5)1(6)7/h1-8,10,14H,9,11-12H2,(H,23,25);(H,6,7)
InChIKeyAZVGDLXGFHIUBI-UHFFFAOYSA-N
XLogP3.33
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 110476602
1-benzylsulfonyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55800492
(4S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dimethyl-5-oxo-4H-pyrazole-4-carboxamide
CID 98258923
(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
CID 94030864
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
methyl 1-[N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111254239
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373
3-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidin-3-yl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 166277453
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
1-(4-fluorophenyl)sulfonyl-N-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 118413639
(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97082832
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
CID 91651889

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid (CID 166364368) is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)C1Cc2nccn2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AZVGDLXGFHIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2.C2HF3O2/c20-15-2-4-16(5-3-15)26-18-6-1-13(10-22-18)11-23-19(25)14-9-17-21-7-8-24(17)12-14;3-2(4,5)1(6)7/h1-8,10,14H,9,11-12H2,(H,23,25);(H,6,7).
What are the key properties of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid?
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 466.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166364368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).