3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide

C37H33F2N5O3 — CID 58178791

IUPAC3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide
SMILESCC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CNC(=O)CCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C37H33F2N5O3/c1-37(2)36-42-34(24-9-11-25(38)12-10-24)35(41-27-15-13-26(39)14-16-27)43(36)19-20-44(37)33(46)22-40-32(45)18-8-23-7-17-31-29(21-23)28-5-3-4-6-30(28)47-31/h3-7,9-17,21,41H,8,18-20,22H2,1-2H3,(H,40,45)
InChIKeyRUMCGUNEOHDQOO-UHFFFAOYSA-N
MW633.70 g/mol
LogP7.30
Rot. Bonds8

About 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide

3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide (PubChem CID 58178791) has the molecular formula C37H33F2N5O3 and a molecular weight of 633.70 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide
PubChem CID58178791
Molecular FormulaC37H33F2N5O3
Molecular Weight633.70 g/mol
Exact Mass633.26
IUPAC Name3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide
SMILESCC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CNC(=O)CCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C37H33F2N5O3/c1-37(2)36-42-34(24-9-11-25(38)12-10-24)35(41-27-15-13-26(39)14-16-27)43(36)19-20-44(37)33(46)22-40-32(45)18-8-23-7-17-31-29(21-23)28-5-3-4-6-30(28)47-31/h3-7,9-17,21,41H,8,18-20,22H2,1-2H3,(H,40,45)
InChIKeyRUMCGUNEOHDQOO-UHFFFAOYSA-N
XLogP7.30
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.70
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide?
The IUPAC name of 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide (CID 58178791) is 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide?
The canonical SMILES for 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide is CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CNC(=O)CCc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide?
The InChIKey is RUMCGUNEOHDQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F2N5O3/c1-37(2)36-42-34(24-9-11-25(38)12-10-24)35(41-27-15-13-26(39)14-16-27)43(36)19-20-44(37)33(46)22-40-32(45)18-8-23-7-17-31-29(21-23)28-5-3-4-6-30(28)47-31/h3-7,9-17,21,41H,8,18-20,22H2,1-2H3,(H,40,45).
What are the key properties of 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide?
3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide has a molecular weight of 633.70 g/mol, XLogP of 7.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 58178791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).