N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C20H21F2N3O7 — CID 67310062

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccccc3OC(F)F)cn2CC1O
InChIInChI=1S/C20H21F2N3O7/c1-31-7-6-25-14(26)10-24-9-12(16(27)17(28)15(24)19(25)30)18(29)23-8-11-4-2-3-5-13(11)32-20(21)22/h2-5,9,14,20,26,28H,6-8,10H2,1H3,(H,23,29)
InChIKeyCBDIAUWQBOCVPQ-UHFFFAOYSA-N
MW453.40 g/mol
LogP0.51
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 67310062) has the molecular formula C20H21F2N3O7 and a molecular weight of 453.40 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID67310062
Molecular FormulaC20H21F2N3O7
Molecular Weight453.40 g/mol
Exact Mass453.13
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCOCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccccc3OC(F)F)cn2CC1O
InChIInChI=1S/C20H21F2N3O7/c1-31-7-6-25-14(26)10-24-9-12(16(27)17(28)15(24)19(25)30)18(29)23-8-11-4-2-3-5-13(11)32-20(21)22/h2-5,9,14,20,26,28H,6-8,10H2,1H3,(H,23,29)
InChIKeyCBDIAUWQBOCVPQ-UHFFFAOYSA-N
XLogP0.51
TPSA130.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(2-phenoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67309710
3,9-dihydroxy-2-(3-methoxypropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90869095
3,9-dihydroxy-1,8-dioxo-2-(2-phenoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91430889
N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67310271
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388
3,9-dihydroxy-1,8-dioxo-2-(4-phenylbutyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91500788
(3S,7S)-N-[(2-fluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-propan-2-yl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 129138135
N-[(2,4-difluorophenyl)methyl]-3-ethenyl-2-ethyl-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 175637376
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
(1S,11R,12R)-N-[(2-fluoro-3-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide
CID 90312359
N-[(4-fluorophenyl)methyl]-3,9-dihydroxy-1,8-dioxo-2-(2,4,4-trimethylpentan-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 67309787
(7R,8S)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo-6,7-dihydroquinolizine-3-carboxamide
CID 122471206

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 67310062) is N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is COCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccccc3OC(F)F)cn2CC1O.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is CBDIAUWQBOCVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O7/c1-31-7-6-25-14(26)10-24-9-12(16(27)17(28)15(24)19(25)30)18(29)23-8-11-4-2-3-5-13(11)32-20(21)22/h2-5,9,14,20,26,28H,6-8,10H2,1H3,(H,23,29).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 453.40 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3,9-dihydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67310062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).