N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H21N5O3S — CID 67479063

IUPACN-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3c(C4=CCN(S(C)(=O)=O)CC4)cccn3n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-27-16-7-5-15(6-8-16)20-19-21-18-17(4-3-11-24(18)22-19)14-9-12-23(13-10-14)28(2,25)26/h3-9,11H,10,12-13H2,1-2H3,(H,20,22)
InChIKeySTGHZPGFCOXZTG-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.53
Rot. Bonds5

About N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67479063) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67479063
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Nc2nc3c(C4=CCN(S(C)(=O)=O)CC4)cccn3n2)cc1
InChIInChI=1S/C19H21N5O3S/c1-27-16-7-5-15(6-8-16)20-19-21-18-17(4-3-11-24(18)22-19)14-9-12-23(13-10-14)28(2,25)26/h3-9,11H,10,12-13H2,1-2H3,(H,20,22)
InChIKeySTGHZPGFCOXZTG-UHFFFAOYSA-N
XLogP2.53
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67479063) is N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(Nc2nc3c(C4=CCN(S(C)(=O)=O)CC4)cccn3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is STGHZPGFCOXZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-27-16-7-5-15(6-8-16)20-19-21-18-17(4-3-11-24(18)22-19)14-9-12-23(13-10-14)28(2,25)26/h3-9,11H,10,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 399.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-8-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67479063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).