(4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C23H24F2N4O4S — CID 69086833

IUPAC(4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC[C@@H](C)N1C[C@H](COC)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C23H24F2N4O4S/c1-4-12(2)28-9-15(11-33-3)29-10-16(20(30)21(31)19(29)23(28)32)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t12-,15-/m1/s1
InChIKeyCLAVZLVFIJAQOJ-IUODEOHRSA-N
MW490.53 g/mol
LogP3.38
Rot. Bonds7

About (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

(4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 69086833) has the molecular formula C23H24F2N4O4S and a molecular weight of 490.53 g/mol. Its IUPAC name is (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name(4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID69086833
Molecular FormulaC23H24F2N4O4S
Molecular Weight490.53 g/mol
Exact Mass490.15
IUPAC Name(4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCC[C@@H](C)N1C[C@H](COC)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C23H24F2N4O4S/c1-4-12(2)28-9-15(11-33-3)29-10-16(20(30)21(31)19(29)23(28)32)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t12-,15-/m1/s1
InChIKeyCLAVZLVFIJAQOJ-IUODEOHRSA-N
XLogP3.38
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione with MolForge

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Related Compounds

(4S)-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086774
(4R)-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(ethoxymethyl)-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086829
(3R)-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethyl-9-hydroxy-3-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086803
(4R)-2-cyclobutyl-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(2-methoxyethoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086776
(3R)-2-cyclobutyl-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-3-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086787
(3S,7S)-13-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-11-hydroxy-7-(methoxymethyl)-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 130255869
7-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-(hydroxymethyl)-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086715
(1S,10S)-4-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-6-hydroxy-10-methyl-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-5,8-dione
CID 155258915
(1R,10R)-4-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-6-hydroxy-10-methyl-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-5,8-dione
CID 155258916
7-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-4-(2-oxopropyl)-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69086837
2-[7-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-4-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 69086765
(4R)-4-[(1R)-1-ethoxypropyl]-7-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 69087056

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 69086833) is (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC[C@@H](C)N1C[C@H](COC)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O.
What is the InChIKey of (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is CLAVZLVFIJAQOJ-IUODEOHRSA-N. The full InChI is InChI=1S/C23H24F2N4O4S/c1-4-12(2)28-9-15(11-33-3)29-10-16(20(30)21(31)19(29)23(28)32)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
(4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 490.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(2R)-butan-2-yl]-7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-4-(methoxymethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 69086833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).