1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one

C34H26F6N8O3S — CID 162238513

IUPAC1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCN1C(=O)CN(C(=O)Nc2nccs2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21.CN1C(=O)CNc2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C19H14F3N5O2S.C15H12F3N3O/c1-26-14-6-5-13(11-3-2-4-12(9-11)19(20,21)22)24-16(14)27(10-15(26)28)18(29)25-17-23-7-8-30-17;1-21-12-6-5-11(20-14(12)19-8-13(21)22)9-3-2-4-10(7-9)15(16,17)18/h2-9H,10H2,1H3,(H,23,25,29);2-7H,8H2,1H3,(H,19,20)
InChIKeyZWJRSHVMSLUWRI-UHFFFAOYSA-N
MW740.69 g/mol
LogP7.39
Rot. Bonds3

About 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one

1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 162238513) has the molecular formula C34H26F6N8O3S and a molecular weight of 740.69 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID162238513
Molecular FormulaC34H26F6N8O3S
Molecular Weight740.69 g/mol
Exact Mass740.18
IUPAC Name1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCN1C(=O)CN(C(=O)Nc2nccs2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21.CN1C(=O)CNc2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C19H14F3N5O2S.C15H12F3N3O/c1-26-14-6-5-13(11-3-2-4-12(9-11)19(20,21)22)24-16(14)27(10-15(26)28)18(29)25-17-23-7-8-30-17;1-21-12-6-5-11(20-14(12)19-8-13(21)22)9-3-2-4-10(7-9)15(16,17)18/h2-9H,10H2,1H3,(H,23,25,29);2-7H,8H2,1H3,(H,19,20)
InChIKeyZWJRSHVMSLUWRI-UHFFFAOYSA-N
XLogP7.39
TPSA123.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.69
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 53233342
N-[2-[4-[(2-ethyl-3,5-dimethylphenyl)carbamoyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazin-1-yl]ethyl]-N,4-dimethyl-2-[[1-[2-[2-[[1-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazol-5-yl]ethyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 123769635
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124669
N-(3-acetylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125184
N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53233781
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 67170840
N-(4,5-dimethyl-1,3-thiazol-2-yl)-10-hydroxy-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 140675865
2-methyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoic acid;trifluoromethylbenzene
CID 88598154
5-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 17456684
N-pyrimidin-5-yl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124647
N-(3-phenylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125146
N-[3-[2-[(diaminomethylideneamino)methyl]-1,3-oxazol-5-yl]phenyl]-1-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 137401182

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one (CID 162238513) is 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one is CN1C(=O)CN(C(=O)Nc2nccs2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21.CN1C(=O)CNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is ZWJRSHVMSLUWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S.C15H12F3N3O/c1-26-14-6-5-13(11-3-2-4-12(9-11)19(20,21)22)24-16(14)27(10-15(26)28)18(29)25-17-23-7-8-30-17;1-21-12-6-5-11(20-14(12)19-8-13(21)22)9-3-2-4-10(7-9)15(16,17)18/h2-9H,10H2,1H3,(H,23,25,29);2-7H,8H2,1H3,(H,19,20).
What are the key properties of 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one?
1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 740.69 g/mol, XLogP of 7.39, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-3H-pyrido[2,3-b]pyrazine-4-carboxamide;1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 162238513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).