7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione

C24H24F2N4O4S — CID 69086704

IUPAC7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione
SMILESCC(C)N1CC2(CCOCC2)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H24F2N4O4S/c1-13(2)29-12-24(5-7-34-8-6-24)30-11-16(20(31)21(32)19(30)23(29)33)22-28-27-18(35-22)9-14-3-4-15(25)10-17(14)26/h3-4,10-11,13,32H,5-9,12H2,1-2H3
InChIKeyQQLOYDUQGNZHKG-UHFFFAOYSA-N
MW502.54 g/mol
LogP3.31
Rot. Bonds4

About 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione

7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione (PubChem CID 69086704) has the molecular formula C24H24F2N4O4S and a molecular weight of 502.54 g/mol. Its IUPAC name is 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione.

Molecular Properties

Compound Name7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione
PubChem CID69086704
Molecular FormulaC24H24F2N4O4S
Molecular Weight502.54 g/mol
Exact Mass502.15
IUPAC Name7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione
SMILESCC(C)N1CC2(CCOCC2)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
InChIInChI=1S/C24H24F2N4O4S/c1-13(2)29-12-24(5-7-34-8-6-24)30-11-16(20(31)21(32)19(30)23(29)33)22-28-27-18(35-22)9-14-3-4-15(25)10-17(14)26/h3-4,10-11,13,32H,5-9,12H2,1-2H3
InChIKeyQQLOYDUQGNZHKG-UHFFFAOYSA-N
XLogP3.31
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione?
The IUPAC name of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione (CID 69086704) is 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione.
What is the SMILES notation for 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione?
The canonical SMILES for 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione is CC(C)N1CC2(CCOCC2)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O.
What is the InChIKey of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione?
The InChIKey is QQLOYDUQGNZHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4S/c1-13(2)29-12-24(5-7-34-8-6-24)30-11-16(20(31)21(32)19(30)23(29)33)22-28-27-18(35-22)9-14-3-4-15(25)10-17(14)26/h3-4,10-11,13,32H,5-9,12H2,1-2H3.
What are the key properties of 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione?
7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione has a molecular weight of 502.54 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(2,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-9-hydroxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,4'-oxane]-1,8-dione is sourced from PubChem (CID 69086704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).