9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide

C23H26FN3O5 — CID 67743049

IUPAC9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCCCOc1c(=O)c(C(=O)NCc2ccc(F)cc2)cn2ccn(CCOC)c(=O)c12
InChIInChI=1S/C23H26FN3O5/c1-3-4-12-32-21-19-23(30)26(11-13-31-2)9-10-27(19)15-18(20(21)28)22(29)25-14-16-5-7-17(24)8-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,29)
InChIKeyFATHBMAHDBZZFH-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.36
Rot. Bonds10

About 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide

9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 67743049) has the molecular formula C23H26FN3O5 and a molecular weight of 443.48 g/mol. Its IUPAC name is 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID67743049
Molecular FormulaC23H26FN3O5
Molecular Weight443.48 g/mol
Exact Mass443.19
IUPAC Name9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
SMILESCCCCOc1c(=O)c(C(=O)NCc2ccc(F)cc2)cn2ccn(CCOC)c(=O)c12
InChIInChI=1S/C23H26FN3O5/c1-3-4-12-32-21-19-23(30)26(11-13-31-2)9-10-27(19)15-18(20(21)28)22(29)25-14-16-5-7-17(24)8-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,29)
InChIKeyFATHBMAHDBZZFH-UHFFFAOYSA-N
XLogP2.36
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Cabotegravir
CID 54713659
Dolutegravir
CID 54726191
Dolutegravir Sodium
CID 46216142
Cabotegravir Sodium
CID 46215800
dolutegravir S,R
CID 66594067
(3R,6S)-N-[(2,4-difluorophenyl)methyl]-6-ethyl-10-hydroxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 54713613
(3S,5R)-N-[(2,4-difluorophenyl)methyl]-5-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594079
(3S,6S)-N-[(4-fluorophenyl)methyl]-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594207
(3R,5R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-5-(methoxymethyl)-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594244
(3R,5S)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-5-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594328
(3R,5R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-5-propan-2-yl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594369
(3S,5R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-5-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 66594524

Frequently Asked Questions

What is the IUPAC name of 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide (CID 67743049) is 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide is CCCCOc1c(=O)c(C(=O)NCc2ccc(F)cc2)cn2ccn(CCOC)c(=O)c12.
What is the InChIKey of 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is FATHBMAHDBZZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O5/c1-3-4-12-32-21-19-23(30)26(11-13-31-2)9-10-27(19)15-18(20(21)28)22(29)25-14-16-5-7-17(24)8-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,29).
What are the key properties of 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butoxy-N-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67743049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).