[3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid

C20H16F4N4O3 — CID 155830677

IUPAC[3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccccn1)N1CCn2c(-c3cccc(F)c3)cnc2C1
InChIInChI=1S/C18H15FN4O.C2HF3O2/c19-14-5-3-4-13(10-14)16-11-21-17-12-22(8-9-23(16)17)18(24)15-6-1-2-7-20-15;3-2(4,5)1(6)7/h1-7,10-11H,8-9,12H2;(H,6,7)
InChIKeyJWMXNVUZZQUANC-UHFFFAOYSA-N
MW436.37 g/mol
LogP3.37
Rot. Bonds2

About [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid

[3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155830677) has the molecular formula C20H16F4N4O3 and a molecular weight of 436.37 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155830677
Molecular FormulaC20H16F4N4O3
Molecular Weight436.37 g/mol
Exact Mass436.12
IUPAC Name[3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1ccccn1)N1CCn2c(-c3cccc(F)c3)cnc2C1
InChIInChI=1S/C18H15FN4O.C2HF3O2/c19-14-5-3-4-13(10-14)16-11-21-17-12-22(8-9-23(16)17)18(24)15-6-1-2-7-20-15;3-2(4,5)1(6)7/h1-7,10-11H,8-9,12H2;(H,6,7)
InChIKeyJWMXNVUZZQUANC-UHFFFAOYSA-N
XLogP3.37
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-pyridin-2-ylmethanone
CID 134793170
(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850799
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155837576
3-(3-fluorophenyl)-N,N,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155825613
[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869139
1'-ethylsulfonyl-3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];2,2,2-trifluoroacetic acid
CID 171696973
3-(3-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155838146
[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155856979
3-(3-fluorophenyl)-7-methyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171695017
3-(3-fluorophenyl)-8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155840422
[4-(4-fluorophenyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842521
1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone
CID 97440483

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 155830677) is [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccccn1)N1CCn2c(-c3cccc(F)c3)cnc2C1.
What is the InChIKey of [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is JWMXNVUZZQUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O.C2HF3O2/c19-14-5-3-4-13(10-14)16-11-21-17-12-22(8-9-23(16)17)18(24)15-6-1-2-7-20-15;3-2(4,5)1(6)7/h1-7,10-11H,8-9,12H2;(H,6,7).
What are the key properties of [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?
[3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 436.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).