[8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate

C26H19F2N3O3 — CID 135368203

IUPAC[8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cccc(F)c3F)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H19F2N3O3/c1-16(32)34-26-22(14-19-10-6-12-33-19)30-25-21(13-18-9-5-11-20(27)24(18)28)29-23(15-31(25)26)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3
InChIKeySVZJGZCPPSZLNQ-UHFFFAOYSA-N
MW459.45 g/mol
LogP5.37
Rot. Bonds6

About [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate

[8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135368203) has the molecular formula C26H19F2N3O3 and a molecular weight of 459.45 g/mol. Its IUPAC name is [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135368203
Molecular FormulaC26H19F2N3O3
Molecular Weight459.45 g/mol
Exact Mass459.14
IUPAC Name[8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cccc(F)c3F)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H19F2N3O3/c1-16(32)34-26-22(14-19-10-6-12-33-19)30-25-21(13-18-9-5-11-20(27)24(18)28)29-23(15-31(25)26)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3
InChIKeySVZJGZCPPSZLNQ-UHFFFAOYSA-N
XLogP5.37
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2,3-dimethyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxylate
CID 9946403
N-benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 808816
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
CID 3579118
[2-[7-Methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-fluorobenzoate
CID 3875003
[2-[7-Methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-fluorobenzoate
CID 4268372
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-fluorobenzoate
CID 4328950
[2-[7-Methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-fluorobenzoate
CID 4333066
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-(trifluoromethyl)benzoate
CID 4434471
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-methoxybenzoate
CID 42743760
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzoate
CID 45488249
[2-[7-Methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-methoxybenzoate
CID 45488886
N-[2-ethyl-8-[(3-methoxyphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-N-methylbenzamide
CID 46943153

Frequently Asked Questions

What is the IUPAC name of [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 135368203) is [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cccc(F)c3F)nc(-c3ccccc3)cn12.
What is the InChIKey of [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is SVZJGZCPPSZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O3/c1-16(32)34-26-22(14-19-10-6-12-33-19)30-25-21(13-18-9-5-11-20(27)24(18)28)29-23(15-31(25)26)17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3.
What are the key properties of [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
[8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 459.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2,3-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135368203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).