9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide

C24H27F2N3O5 — CID 118183891

IUPAC9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
SMILESCCCCOc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)CC1(CCOC1)N(C)C2=O
InChIInChI=1S/C24H27F2N3O5/c1-3-4-8-34-21-19-23(32)28(2)24(7-9-33-14-24)13-29(19)12-17(20(21)30)22(31)27-11-15-5-6-16(25)10-18(15)26/h5-6,10,12H,3-4,7-9,11,13-14H2,1-2H3,(H,27,31)
InChIKeySYAOHZGXDDQXJL-UHFFFAOYSA-N
MW475.49 g/mol
LogP2.48
Rot. Bonds7

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

9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide (PubChem CID 118183891) has the molecular formula C24H27F2N3O5 and a molecular weight of 475.49 g/mol. Its IUPAC name is 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide.

Molecular Properties

Compound Name9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
PubChem CID118183891
Molecular FormulaC24H27F2N3O5
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Name9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide
SMILESCCCCOc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)CC1(CCOC1)N(C)C2=O
InChIInChI=1S/C24H27F2N3O5/c1-3-4-8-34-21-19-23(32)28(2)24(7-9-33-14-24)13-29(19)12-17(20(21)30)22(31)27-11-15-5-6-16(25)10-18(15)26/h5-6,10,12H,3-4,7-9,11,13-14H2,1-2H3,(H,27,31)
InChIKeySYAOHZGXDDQXJL-UHFFFAOYSA-N
XLogP2.48
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
The IUPAC name of 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide (CID 118183891) is 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide.
What is the SMILES notation for 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
The canonical SMILES for 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide is CCCCOc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)CC1(CCOC1)N(C)C2=O.
What is the InChIKey of 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
The InChIKey is SYAOHZGXDDQXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O5/c1-3-4-8-34-21-19-23(32)28(2)24(7-9-33-14-24)13-29(19)12-17(20(21)30)22(31)27-11-15-5-6-16(25)10-18(15)26/h5-6,10,12H,3-4,7-9,11,13-14H2,1-2H3,(H,27,31).
What are the key properties of 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide?
9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butoxy-N-[(2,4-difluorophenyl)methyl]-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-7-carboxamide is sourced from PubChem (CID 118183891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).