4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide

C23H17F3N4O3 — CID 134799263

IUPAC4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)NCc3ccc(C(F)(F)F)cc3)nc3cccnc32)cc1
InChIInChI=1S/C23H17F3N4O3/c1-33-17-10-8-16(9-11-17)30-20-18(3-2-12-27-20)29-19(22(30)32)21(31)28-13-14-4-6-15(7-5-14)23(24,25)26/h2-12H,13H2,1H3,(H,28,31)
InChIKeyIFUDFBRQDSARQK-UHFFFAOYSA-N
MW454.41 g/mol
LogP3.74
Rot. Bonds5

About 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide

4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134799263) has the molecular formula C23H17F3N4O3 and a molecular weight of 454.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134799263
Molecular FormulaC23H17F3N4O3
Molecular Weight454.41 g/mol
Exact Mass454.13
IUPAC Name4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)NCc3ccc(C(F)(F)F)cc3)nc3cccnc32)cc1
InChIInChI=1S/C23H17F3N4O3/c1-33-17-10-8-16(9-11-17)30-20-18(3-2-12-27-20)29-19(22(30)32)21(31)28-13-14-4-6-15(7-5-14)23(24,25)26/h2-12H,13H2,1H3,(H,28,31)
InChIKeyIFUDFBRQDSARQK-UHFFFAOYSA-N
XLogP3.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189785
4-(4-methoxyphenyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 134800374
4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46393856
4-ethyl-3-oxo-N-[(4-propoxyphenyl)methyl]pyrido[2,3-b]pyrazine-2-carboxamide
CID 53189841
2-[hydroxy-[4-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]methylidene]cyclohexane-1,3-dione
CID 67539224
4-benzyl-N-[(3-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798321
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide
CID 58345113
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide (CID 134799263) is 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide is COc1ccc(-n2c(=O)c(C(=O)NCc3ccc(C(F)(F)F)cc3)nc3cccnc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is IFUDFBRQDSARQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3/c1-33-17-10-8-16(9-11-17)30-20-18(3-2-12-27-20)29-19(22(30)32)21(31)28-13-14-4-6-15(7-5-14)23(24,25)26/h2-12H,13H2,1H3,(H,28,31).
What are the key properties of 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide?
4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 454.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134799263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).