N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide

C23H25F2N3O6 — CID 118183443

IUPACN-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
SMILESCOCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(C)c3F)cn2CC12CCOC2
InChIInChI=1S/C23H25F2N3O6/c1-13-16(24)4-3-14(17(13)25)9-26-21(31)15-10-27-11-23(5-7-34-12-23)28(6-8-33-2)22(32)18(27)20(30)19(15)29/h3-4,10,30H,5-9,11-12H2,1-2H3,(H,26,31)
InChIKeyBJOKBCTUERNURD-UHFFFAOYSA-N
MW477.46 g/mol
LogP1.33
Rot. Bonds6

About N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide

N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide (PubChem CID 118183443) has the molecular formula C23H25F2N3O6 and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
PubChem CID118183443
Molecular FormulaC23H25F2N3O6
Molecular Weight477.46 g/mol
Exact Mass477.17
IUPAC NameN-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
SMILESCOCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(C)c3F)cn2CC12CCOC2
InChIInChI=1S/C23H25F2N3O6/c1-13-16(24)4-3-14(17(13)25)9-26-21(31)15-10-27-11-23(5-7-34-12-23)28(6-8-33-2)22(32)18(27)20(30)19(15)29/h3-4,10,30H,5-9,11-12H2,1-2H3,(H,26,31)
InChIKeyBJOKBCTUERNURD-UHFFFAOYSA-N
XLogP1.33
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide with MolForge

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-(2-ethoxyethyl)-9-hydroxy-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 118183492
9-hydroxy-2-methyl-1,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 118183409
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,3'-oxane]-7-carboxamide
CID 121402008
N-[(2,4-difluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 123538093
N-[(2,4-difluorophenyl)methyl]-5'-hydroxy-3'-(3-methoxypropyl)-1'-methyl-4',6'-dioxospiro[oxolane-3,2'-pyrido[2,1-f][1,2,4]triazine]-7'-carboxamide
CID 118183426
2-[(Z)-but-2-enyl]-N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 155699806
N-[(2,4-difluoro-3-methylphenyl)methyl]-4-hydroxy-2,5-dioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,12-triene-6-carboxamide;methoxymethane
CID 145166354
N-[(3-chloro-2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxo-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 122660356
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propylspiro[4H-pyrido[1,2-a]pyrazine-3,4'-piperidine]-7-carboxamide
CID 122660389
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
CID 90245191
(2S,6R)-N-[(2,4-difluoro-3-methylphenyl)methyl]-7-ethyl-10-hydroxy-8,11-dioxo-5-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxamide
CID 121422031
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxo-9-phenylmethoxyspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
CID 123412839

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
The IUPAC name of N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide (CID 118183443) is N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide.
What is the SMILES notation for N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
The canonical SMILES for N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide is COCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(C)c3F)cn2CC12CCOC2.
What is the InChIKey of N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
The InChIKey is BJOKBCTUERNURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O6/c1-13-16(24)4-3-14(17(13)25)9-26-21(31)15-10-27-11-23(5-7-34-12-23)28(6-8-33-2)22(32)18(27)20(30)19(15)29/h3-4,10,30H,5-9,11-12H2,1-2H3,(H,26,31).
What are the key properties of N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide has a molecular weight of 477.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-3-methylphenyl)methyl]-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide is sourced from PubChem (CID 118183443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).