2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C19H24N6O3S — CID 67481490

IUPAC2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCOc1ccc(Nc2nc3c(NC4CCN(S(C)(=O)=O)CC4)cccn3n2)cc1
InChIInChI=1S/C19H24N6O3S/c1-28-16-7-5-14(6-8-16)21-19-22-18-17(4-3-11-25(18)23-19)20-15-9-12-24(13-10-15)29(2,26)27/h3-8,11,15,20H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyUDVKQXDUJNTWCR-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.32
Rot. Bonds6

About 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 67481490) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID67481490
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCOc1ccc(Nc2nc3c(NC4CCN(S(C)(=O)=O)CC4)cccn3n2)cc1
InChIInChI=1S/C19H24N6O3S/c1-28-16-7-5-14(6-8-16)21-19-22-18-17(4-3-11-25(18)23-19)20-15-9-12-24(13-10-15)29(2,26)27/h3-8,11,15,20H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyUDVKQXDUJNTWCR-UHFFFAOYSA-N
XLogP2.32
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 67481490) is 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is COc1ccc(Nc2nc3c(NC4CCN(S(C)(=O)=O)CC4)cccn3n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is UDVKQXDUJNTWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-28-16-7-5-14(6-8-16)21-19-22-18-17(4-3-11-25(18)23-19)20-15-9-12-24(13-10-15)29(2,26)27/h3-8,11,15,20H,9-10,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 416.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-8-N-(1-methylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 67481490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).