6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H24N4O3S — CID 159129374

IUPAC6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(CS(=O)(=O)CC4CC4)c3)cn2n1
InChIInChI=1S/C24H24N4O3S/c1-31-22-8-3-2-7-21(22)25-24-26-23-12-11-20(14-28(23)27-24)19-6-4-5-18(13-19)16-32(29,30)15-17-9-10-17/h2-8,11-14,17H,9-10,15-16H2,1H3,(H,25,27)
InChIKeyKGRLFFOMWVJLGB-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.47
Rot. Bonds8

About 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 159129374) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID159129374
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(CS(=O)(=O)CC4CC4)c3)cn2n1
InChIInChI=1S/C24H24N4O3S/c1-31-22-8-3-2-7-21(22)25-24-26-23-12-11-20(14-28(23)27-24)19-6-4-5-18(13-19)16-32(29,30)15-17-9-10-17/h2-8,11-14,17H,9-10,15-16H2,1H3,(H,25,27)
InChIKeyKGRLFFOMWVJLGB-UHFFFAOYSA-N
XLogP4.47
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

Empesertib
CID 71599640
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-methoxy-phenyl)-amine
CID 49838518
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 57502381
4-[2-(2-Methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol
CID 53233539
N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
CID 53234587
8-(2-Methoxyphenyl)-N-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 57502377
2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 66574857
US9663510, Example comparitive example 4
CID 117749351
(2S)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
CID 124672819
5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59612337
[8-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 67479063
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 67479243

Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 159129374) is 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccccc1Nc1nc2ccc(-c3cccc(CS(=O)(=O)CC4CC4)c3)cn2n1.
What is the InChIKey of 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is KGRLFFOMWVJLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-31-22-8-3-2-7-21(22)25-24-26-23-12-11-20(14-28(23)27-24)19-6-4-5-18(13-19)16-32(29,30)15-17-9-10-17/h2-8,11-14,17H,9-10,15-16H2,1H3,(H,25,27).
What are the key properties of 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 448.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclopropylmethylsulfonylmethyl)phenyl]-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 159129374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).