2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine

C28H22FN3 — CID 144600351

IUPAC2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine
SMILESC=C(C1=c2nc(Cc3ccc(F)cc3)c(=C)n2C=C(c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C28H22FN3/c1-19(22-9-5-3-6-10-22)27-28-31-25(17-21-13-15-24(29)16-14-21)20(2)32(28)18-26(30-27)23-11-7-4-8-12-23/h3-16,18,30H,1-2,17H2
InChIKeyJIJOTBBLIWQLBX-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.40
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine

2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine (PubChem CID 144600351) has the molecular formula C28H22FN3 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine
PubChem CID144600351
Molecular FormulaC28H22FN3
Molecular Weight419.50 g/mol
Exact Mass419.18
IUPAC Name2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine
SMILESC=C(C1=c2nc(Cc3ccc(F)cc3)c(=C)n2C=C(c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C28H22FN3/c1-19(22-9-5-3-6-10-22)27-28-31-25(17-21-13-15-24(29)16-14-21)20(2)32(28)18-26(30-27)23-11-7-4-8-12-23/h3-16,18,30H,1-2,17H2
InChIKeyJIJOTBBLIWQLBX-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-benzyl-6-(3-chlorophenyl)-2-(cyclopenta-1,3-dien-1-ylmethyl)-3-methylidene-7H-imidazo[1,2-a]pyrazine
CID 146409708
4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole
CID 135000849
[2-[(4-fluorophenyl)methyl]-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716657
5-[(4-fluorophenyl)methyl]-2-phenylimidazo[4,5-c]pyridine
CID 10335136
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
(2Z)-2-(cyclopenta-1,3-dien-1-ylmethylidene)-8-[(4-fluorophenyl)methyl]-3-methylidene-6-phenylimidazo[1,2-a]pyrazine
CID 146409711
(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 7623321
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
(2S)-1-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 93226399
5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
CID 139449767
2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67217154
CID 162321965
CID 162321965

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine (CID 144600351) is 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine is C=C(C1=c2nc(Cc3ccc(F)cc3)c(=C)n2C=C(c2ccccc2)N1)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine?
The InChIKey is JIJOTBBLIWQLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN3/c1-19(22-9-5-3-6-10-22)27-28-31-25(17-21-13-15-24(29)16-14-21)20(2)32(28)18-26(30-27)23-11-7-4-8-12-23/h3-16,18,30H,1-2,17H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine?
2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine has a molecular weight of 419.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-methylidene-6-phenyl-8-(1-phenylethenyl)-7H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 144600351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).