1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone

C106H92N32O6S3 — CID 158906780

IUPAC1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone
SMILESCC1=NCC(c2cc(C(=O)Cc3ccc(C)cn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3ccc(C)cn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3ccccn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)=C1.Cc1csc(CC(=O)c2cc(-c3ccn(C)n3)cn3cnnc23)n1.Cc1csc(CC(=O)c2cc(-c3cnncc3C)cn3cnnc23)n1
InChIInChI=1S/2C19H17N5O.C18H15N5O.C17H14N6OS.C17H15N5OS.C16H14N6OS/c2*1-12-3-4-16(21-8-12)7-18(25)17-6-15(14-5-13(2)20-9-14)10-24-11-22-23-19(17)24;1-12-6-13(9-20-12)14-7-16(18-22-21-11-23(18)10-14)17(24)8-15-4-2-3-5-19-15;1-10-5-18-19-6-14(10)12-3-13(17-22-20-9-23(17)7-12)15(24)4-16-21-11(2)8-25-16;1-10-3-12(6-18-10)13-4-14(17-21-19-9-22(17)7-13)15(23)5-16-20-11(2)8-24-16;1-10-8-24-15(18-10)6-14(23)12-5-11(13-3-4-21(2)20-13)7-22-9-17-19-16(12)22/h2*3-6,8,10-11H,7,9H2,1-2H3;2-7,10-11H,8-9H2,1H3;3,5-9H,4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,7-9H,6H2,1-2H3
InChIKeyJGDJWKHGTBVZDD-UHFFFAOYSA-N
MW2006.32 g/mol
LogP15.62
Rot. Bonds24

About 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone

1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone (PubChem CID 158906780) has the molecular formula C106H92N32O6S3 and a molecular weight of 2006.32 g/mol. Its IUPAC name is 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone
PubChem CID158906780
Molecular FormulaC106H92N32O6S3
Molecular Weight2006.32 g/mol
Exact Mass2004.70
IUPAC Name1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone
SMILESCC1=NCC(c2cc(C(=O)Cc3ccc(C)cn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3ccc(C)cn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3ccccn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)=C1.Cc1csc(CC(=O)c2cc(-c3ccn(C)n3)cn3cnnc23)n1.Cc1csc(CC(=O)c2cc(-c3cnncc3C)cn3cnnc23)n1
InChIInChI=1S/2C19H17N5O.C18H15N5O.C17H14N6OS.C17H15N5OS.C16H14N6OS/c2*1-12-3-4-16(21-8-12)7-18(25)17-6-15(14-5-13(2)20-9-14)10-24-11-22-23-19(17)24;1-12-6-13(9-20-12)14-7-16(18-22-21-11-23(18)10-14)17(24)8-15-4-2-3-5-19-15;1-10-5-18-19-6-14(10)12-3-13(17-22-20-9-23(17)7-12)15(24)4-16-21-11(2)8-25-16;1-10-3-12(6-18-10)13-4-14(17-21-19-9-22(17)7-13)15(23)5-16-20-11(2)8-24-16;1-10-8-24-15(18-10)6-14(23)12-5-11(13-3-4-21(2)20-13)7-22-9-17-19-16(12)22/h2*3-6,8,10-11H,7,9H2,1-2H3;2-7,10-11H,8-9H2,1H3;3,5-9H,4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,7-9H,6H2,1-2H3
InChIKeyJGDJWKHGTBVZDD-UHFFFAOYSA-N
XLogP15.62
TPSA453.94 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.32
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone (CID 158906780) is 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone is CC1=NCC(c2cc(C(=O)Cc3ccc(C)cn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3ccc(C)cn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3ccccn3)c3nncn3c2)=C1.CC1=NCC(c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)=C1.Cc1csc(CC(=O)c2cc(-c3ccn(C)n3)cn3cnnc23)n1.Cc1csc(CC(=O)c2cc(-c3cnncc3C)cn3cnnc23)n1.
What is the InChIKey of 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
The InChIKey is JGDJWKHGTBVZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N5O.C18H15N5O.C17H14N6OS.C17H15N5OS.C16H14N6OS/c2*1-12-3-4-16(21-8-12)7-18(25)17-6-15(14-5-13(2)20-9-14)10-24-11-22-23-19(17)24;1-12-6-13(9-20-12)14-7-16(18-22-21-11-23(18)10-14)17(24)8-15-4-2-3-5-19-15;1-10-5-18-19-6-14(10)12-3-13(17-22-20-9-23(17)7-12)15(24)4-16-21-11(2)8-25-16;1-10-3-12(6-18-10)13-4-14(17-21-19-9-22(17)7-13)15(23)5-16-20-11(2)8-24-16;1-10-8-24-15(18-10)6-14(23)12-5-11(13-3-4-21(2)20-13)7-22-9-17-19-16(12)22/h2*3-6,8,10-11H,7,9H2,1-2H3;2-7,10-11H,8-9H2,1H3;3,5-9H,4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,7-9H,6H2,1-2H3.
What are the key properties of 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone has a molecular weight of 2006.32 g/mol, XLogP of 15.62, 24 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methylpyridazin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone);1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-2H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 158906780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).