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

C24H25N5O3S — CID 67481528

IUPAC8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(CN5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C24H25N5O3S/c1-33(30,31)21-10-6-19(7-11-21)22-3-2-12-29-23(22)26-24(27-29)25-20-8-4-18(5-9-20)17-28-13-15-32-16-14-28/h2-12H,13-17H2,1H3,(H,25,27)
InChIKeySAAXJKHETSFHLN-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.38
Rot. Bonds6

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

8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 67481528) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID67481528
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(CN5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C24H25N5O3S/c1-33(30,31)21-10-6-19(7-11-21)22-3-2-12-29-23(22)26-24(27-29)25-20-8-4-18(5-9-20)17-28-13-15-32-16-14-28/h2-12H,13-17H2,1H3,(H,25,27)
InChIKeySAAXJKHETSFHLN-UHFFFAOYSA-N
XLogP3.38
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 67481528) is 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(CN5CCOCC5)cc4)nc23)cc1.
What is the InChIKey of 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SAAXJKHETSFHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-33(30,31)21-10-6-19(7-11-21)22-3-2-12-29-23(22)26-24(27-29)25-20-8-4-18(5-9-20)17-28-13-15-32-16-14-28/h2-12H,13-17H2,1H3,(H,25,27).
What are the key properties of 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 463.56 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 67481528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).