2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C20H17F2N5O2 — CID 123313587

IUPAC2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1C=Cn2c(nc(-c3ccc(F)cc3O)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H17F2N5O2/c21-12-1-4-14(5-2-12)24-20-19(15-6-3-13(22)9-16(15)28)25-17-11-26(18(29)10-23)7-8-27(17)20/h1-9,24,28H,10-11,23H2
InChIKeyBWRMCSOJRNVWOC-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.01
Rot. Bonds4

About 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 123313587) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID123313587
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESNCC(=O)N1C=Cn2c(nc(-c3ccc(F)cc3O)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H17F2N5O2/c21-12-1-4-14(5-2-12)24-20-19(15-6-3-13(22)9-16(15)28)25-17-11-26(18(29)10-23)7-8-27(17)20/h1-9,24,28H,10-11,23H2
InChIKeyBWRMCSOJRNVWOC-UHFFFAOYSA-N
XLogP3.01
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 123313587) is 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone is NCC(=O)N1C=Cn2c(nc(-c3ccc(F)cc3O)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is BWRMCSOJRNVWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c21-12-1-4-14(5-2-12)24-20-19(15-6-3-13(22)9-16(15)28)25-17-11-26(18(29)10-23)7-8-27(17)20/h1-9,24,28H,10-11,23H2.
What are the key properties of 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 397.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 123313587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).