8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H27N5O4S — CID 67478913

IUPAC8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(OCCN5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C25H27N5O4S/c1-35(31,32)22-10-4-19(5-11-22)23-3-2-12-30-24(23)27-25(28-30)26-20-6-8-21(9-7-20)34-18-15-29-13-16-33-17-14-29/h2-12H,13-18H2,1H3,(H,26,28)
InChIKeyBIRREBZZUBOXQS-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.25
Rot. Bonds8

About 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67478913) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67478913
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(OCCN5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C25H27N5O4S/c1-35(31,32)22-10-4-19(5-11-22)23-3-2-12-30-24(23)27-25(28-30)26-20-6-8-21(9-7-20)34-18-15-29-13-16-33-17-14-29/h2-12H,13-18H2,1H3,(H,26,28)
InChIKeyBIRREBZZUBOXQS-UHFFFAOYSA-N
XLogP3.25
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67478913) is 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(OCCN5CCOCC5)cc4)nc23)cc1.
What is the InChIKey of 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BIRREBZZUBOXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-35(31,32)22-10-4-19(5-11-22)23-3-2-12-30-24(23)27-25(28-30)26-20-6-8-21(9-7-20)34-18-15-29-13-16-33-17-14-29/h2-12H,13-18H2,1H3,(H,26,28).
What are the key properties of 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 493.59 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67478913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).