4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide

C25H27F2N5O2 — CID 70806022

IUPAC4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C25H27F2N5O2/c1-2-12-28-22(33)10-11-23(34)31-13-14-32-21(16-31)30-24(17-4-3-5-19(27)15-17)25(32)29-20-8-6-18(26)7-9-20/h3-9,15,29H,2,10-14,16H2,1H3,(H,28,33)
InChIKeyLRTWYZKZUUHRKQ-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.22
Rot. Bonds8

About 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide

4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide (PubChem CID 70806022) has the molecular formula C25H27F2N5O2 and a molecular weight of 467.52 g/mol. Its IUPAC name is 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide
PubChem CID70806022
Molecular FormulaC25H27F2N5O2
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C25H27F2N5O2/c1-2-12-28-22(33)10-11-23(34)31-13-14-32-21(16-31)30-24(17-4-3-5-19(27)15-17)25(32)29-20-8-6-18(26)7-9-20/h3-9,15,29H,2,10-14,16H2,1H3,(H,28,33)
InChIKeyLRTWYZKZUUHRKQ-UHFFFAOYSA-N
XLogP4.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide?
The IUPAC name of 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide (CID 70806022) is 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide?
The InChIKey is LRTWYZKZUUHRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2/c1-2-12-28-22(33)10-11-23(34)31-13-14-32-21(16-31)30-24(17-4-3-5-19(27)15-17)25(32)29-20-8-6-18(26)7-9-20/h3-9,15,29H,2,10-14,16H2,1H3,(H,28,33).
What are the key properties of 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide?
4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide has a molecular weight of 467.52 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-oxo-N-propylbutanamide is sourced from PubChem (CID 70806022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).