[(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate

C21H23FN4O5 — CID 10226896

IUPAC[(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OCC1OC[C@H](n2ccc3nc(-c4ccc(F)cc4)cn3c2=O)O1
InChIInChI=1S/C21H23FN4O5/c1-12(2)19(23)20(27)30-11-18-29-10-17(31-18)25-8-7-16-24-15(9-26(16)21(25)28)13-3-5-14(22)6-4-13/h3-9,12,17-19H,10-11,23H2,1-2H3/t17-,18?,19+/m1/s1
InChIKeyKQFOGDUOZIBXMY-KGNCLDLBSA-N
MW430.44 g/mol
LogP1.70
Rot. Bonds6

About [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate

[(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate (PubChem CID 10226896) has the molecular formula C21H23FN4O5 and a molecular weight of 430.44 g/mol. Its IUPAC name is [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
PubChem CID10226896
Molecular FormulaC21H23FN4O5
Molecular Weight430.44 g/mol
Exact Mass430.17
IUPAC Name[(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)OCC1OC[C@H](n2ccc3nc(-c4ccc(F)cc4)cn3c2=O)O1
InChIInChI=1S/C21H23FN4O5/c1-12(2)19(23)20(27)30-11-18-29-10-17(31-18)25-8-7-16-24-15(9-26(16)21(25)28)13-3-5-14(22)6-4-13/h3-9,12,17-19H,10-11,23H2,1-2H3/t17-,18?,19+/m1/s1
InChIKeyKQFOGDUOZIBXMY-KGNCLDLBSA-N
XLogP1.70
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?
The IUPAC name of [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate (CID 10226896) is [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)OCC1OC[C@H](n2ccc3nc(-c4ccc(F)cc4)cn3c2=O)O1.
What is the InChIKey of [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?
The InChIKey is KQFOGDUOZIBXMY-KGNCLDLBSA-N. The full InChI is InChI=1S/C21H23FN4O5/c1-12(2)19(23)20(27)30-11-18-29-10-17(31-18)25-8-7-16-24-15(9-26(16)21(25)28)13-3-5-14(22)6-4-13/h3-9,12,17-19H,10-11,23H2,1-2H3/t17-,18?,19+/m1/s1.
What are the key properties of [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate?
[(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate has a molecular weight of 430.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[2-(4-fluorophenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 10226896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).