2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C21H17F2N5O3 — CID 90074427

IUPAC2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN([C@H]2CON=C2c2ccc(F)c(F)c2)C3=O)cn1
InChIInChI=1S/C21H17F2N5O3/c1-12-9-26(11-24-12)16-4-5-17-21(30)28(7-6-27(17)20(16)29)18-10-31-25-19(18)13-2-3-14(22)15(23)8-13/h2-5,8-9,11,18H,6-7,10H2,1H3/t18-/m0/s1
InChIKeyQPTDJGQPTPWCLC-SFHVURJKSA-N
MW425.40 g/mol
LogP1.88
Rot. Bonds3

About 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 90074427) has the molecular formula C21H17F2N5O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID90074427
Molecular FormulaC21H17F2N5O3
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Name2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN([C@H]2CON=C2c2ccc(F)c(F)c2)C3=O)cn1
InChIInChI=1S/C21H17F2N5O3/c1-12-9-26(11-24-12)16-4-5-17-21(30)28(7-6-27(17)20(16)29)18-10-31-25-19(18)13-2-3-14(22)15(23)8-13/h2-5,8-9,11,18H,6-7,10H2,1H3/t18-/m0/s1
InChIKeyQPTDJGQPTPWCLC-SFHVURJKSA-N
XLogP1.88
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 90074427) is 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN([C@H]2CON=C2c2ccc(F)c(F)c2)C3=O)cn1.
What is the InChIKey of 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is QPTDJGQPTPWCLC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17F2N5O3/c1-12-9-26(11-24-12)16-4-5-17-21(30)28(7-6-27(17)20(16)29)18-10-31-25-19(18)13-2-3-14(22)15(23)8-13/h2-5,8-9,11,18H,6-7,10H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 425.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 90074427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).