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

C20H14Cl2N8OS — CID 162440288

IUPAC1-(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
SMILESCc1csc2nnc(-c3ccc(Nc4cn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12
InChIInChI=1S/C20H14Cl2N8OS/c1-10-9-32-20-27-26-19(30(10)20)14-6-5-11(7-24-14)25-15-8-29(28-16(15)18(23)31)17-12(21)3-2-4-13(17)22/h2-9,25H,1H3,(H2,23,31)
InChIKeyHVFBIFSDTDTJOO-UHFFFAOYSA-N
MW485.36 g/mol
LogP4.50
Rot. Bonds5

About 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

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 (PubChem CID 162440288) has the molecular formula C20H14Cl2N8OS and a molecular weight of 485.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID162440288
Molecular FormulaC20H14Cl2N8OS
Molecular Weight485.36 g/mol
Exact Mass484.04
IUPAC Name1-(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
SMILESCc1csc2nnc(-c3ccc(Nc4cn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12
InChIInChI=1S/C20H14Cl2N8OS/c1-10-9-32-20-27-26-19(30(10)20)14-6-5-11(7-24-14)25-15-8-29(28-16(15)18(23)31)17-12(21)3-2-4-13(17)22/h2-9,25H,1H3,(H2,23,31)
InChIKeyHVFBIFSDTDTJOO-UHFFFAOYSA-N
XLogP4.50
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 162440202
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
CID 162440340
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
CID 162440198
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
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
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475
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
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440046
1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide
CID 162440656
1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
CID 162440132
1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
CID 162440284

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc2nnc(-c3ccc(Nc4cn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12.
What is the InChIKey of 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?
The InChIKey is HVFBIFSDTDTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N8OS/c1-10-9-32-20-27-26-19(30(10)20)14-6-5-11(7-24-14)25-15-8-29(28-16(15)18(23)31)17-12(21)3-2-4-13(17)22/h2-9,25H,1H3,(H2,23,31).
What are the key properties of 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?
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 has a molecular weight of 485.36 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162440288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).