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

C21H14Cl2FN9O — CID 166934886

IUPAC2-(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
SMILESCc1c(F)ccc2nnc(-c3ccc(Nc4nn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12
InChIInChI=1S/C21H14Cl2FN9O/c1-10-14(24)6-8-16-28-29-21(32(10)16)15-7-5-11(9-26-15)27-20-17(19(25)34)30-33(31-20)18-12(22)3-2-4-13(18)23/h2-9H,1H3,(H2,25,34)(H,27,31)
InChIKeyODCSWSDDTFIASW-UHFFFAOYSA-N
MW498.31 g/mol
LogP3.97
Rot. Bonds5

About 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

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 (PubChem CID 166934886) has the molecular formula C21H14Cl2FN9O and a molecular weight of 498.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID166934886
Molecular FormulaC21H14Cl2FN9O
Molecular Weight498.31 g/mol
Exact Mass497.07
IUPAC Name2-(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
SMILESCc1c(F)ccc2nnc(-c3ccc(Nc4nn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12
InChIInChI=1S/C21H14Cl2FN9O/c1-10-14(24)6-8-16-28-29-21(32(10)16)15-7-5-11(9-26-15)27-20-17(19(25)34)30-33(31-20)18-12(22)3-2-4-13(18)23/h2-9H,1H3,(H2,25,34)(H,27,31)
InChIKeyODCSWSDDTFIASW-UHFFFAOYSA-N
XLogP3.97
TPSA128.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(F)ccc2nnc(-c3ccc(Nc4nn(-c5c(Cl)cccc5Cl)nc4C(N)=O)cn3)n12.
What is the InChIKey of 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?
The InChIKey is ODCSWSDDTFIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN9O/c1-10-14(24)6-8-16-28-29-21(32(10)16)15-7-5-11(9-26-15)27-20-17(19(25)34)30-33(31-20)18-12(22)3-2-4-13(18)23/h2-9H,1H3,(H2,25,34)(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 498.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166934886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).