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

C22H23N5O3S2 — CID 70929580

IUPACN-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)s4)cccn3n2)cc1
InChIInChI=1S/C22H23N5O3S2/c1-32(28,29)18-7-4-16(5-8-18)23-22-24-21-19(3-2-10-27(21)25-22)20-9-6-17(31-20)15-26-11-13-30-14-12-26/h2-10H,11-15H2,1H3,(H,23,25)
InChIKeyPDCVCYVVIZTJKJ-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.44
Rot. Bonds6

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

N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70929580) has the molecular formula C22H23N5O3S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70929580
Molecular FormulaC22H23N5O3S2
Molecular Weight469.59 g/mol
Exact Mass469.12
IUPAC NameN-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)s4)cccn3n2)cc1
InChIInChI=1S/C22H23N5O3S2/c1-32(28,29)18-7-4-16(5-8-18)23-22-24-21-19(3-2-10-27(21)25-22)20-9-6-17(31-20)15-26-11-13-30-14-12-26/h2-10H,11-15H2,1H3,(H,23,25)
InChIKeyPDCVCYVVIZTJKJ-UHFFFAOYSA-N
XLogP3.44
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70929580) is N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1ccc(Nc2nc3c(-c4ccc(CN5CCOCC5)s4)cccn3n2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PDCVCYVVIZTJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S2/c1-32(28,29)18-7-4-16(5-8-18)23-22-24-21-19(3-2-10-27(21)25-22)20-9-6-17(31-20)15-26-11-13-30-14-12-26/h2-10H,11-15H2,1H3,(H,23,25).
What are the key properties of N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 469.59 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-8-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70929580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).