2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide

C20H14Cl2N10O2 — CID 166934887

IUPAC2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
SMILESCOc1cncc2nnc(-c3ccc(Nc4nn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12
InChIInChI=1S/C20H14Cl2N10O2/c1-34-15-9-24-8-14-27-28-20(31(14)15)13-6-5-10(7-25-13)26-19-16(18(23)33)29-32(30-19)17-11(21)3-2-4-12(17)22/h2-9H,1H3,(H2,23,33)(H,26,30)
InChIKeyBAZRPXKHXGTELZ-UHFFFAOYSA-N
MW497.31 g/mol
LogP2.92
Rot. Bonds6

About 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide

2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide (PubChem CID 166934887) has the molecular formula C20H14Cl2N10O2 and a molecular weight of 497.31 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
PubChem CID166934887
Molecular FormulaC20H14Cl2N10O2
Molecular Weight497.31 g/mol
Exact Mass496.07
IUPAC Name2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
SMILESCOc1cncc2nnc(-c3ccc(Nc4nn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12
InChIInChI=1S/C20H14Cl2N10O2/c1-34-15-9-24-8-14-27-28-20(31(14)15)13-6-5-10(7-25-13)26-19-16(18(23)33)29-32(30-19)17-11(21)3-2-4-12(17)22/h2-9H,1H3,(H2,23,33)(H,26,30)
InChIKeyBAZRPXKHXGTELZ-UHFFFAOYSA-N
XLogP2.92
TPSA151.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

2-(2,6-dichlorophenyl)-5-[[6-(5-oxo-6H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
CID 162440216
2-(2,6-dichlorophenyl)-5-[[6-(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
CID 166934886
1-(2,6-dichlorophenyl)-4-[[6-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-pyridinyl]amino]pyrazole-3-carboxamide
CID 162440288
2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide
CID 162440388
2-(2,6-dichlorophenyl)-5-[[5-(5-methyltriazol-1-yl)-2-pyridinyl]amino]triazole-4-carboxamide
CID 162440403
5-[4-(3-cyanoazetidine-1-carbonyl)anilino]-2-(2,6-dichlorophenyl)triazole-4-carboxamide
CID 162440531
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440046
1-[2-(4-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)amino]triazol-4-yl]ethanone
CID 23606519
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
CID 162440340
1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
CID 162440284
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide (CID 166934887) is 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide is COc1cncc2nnc(-c3ccc(Nc4nn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
The InChIKey is BAZRPXKHXGTELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N10O2/c1-34-15-9-24-8-14-27-28-20(31(14)15)13-6-5-10(7-25-13)26-19-16(18(23)33)29-32(30-19)17-11(21)3-2-4-12(17)22/h2-9H,1H3,(H2,23,33)(H,26,30).
What are the key properties of 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide?
2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide has a molecular weight of 497.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-[[6-(5-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide is sourced from PubChem (CID 166934887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).