4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

C26H28N6O2S — CID 143916147

IUPAC4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCSc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C26H28N6O2S/c1-35-22-11-7-19(8-12-22)23-3-2-4-24-29-26(30-32(23)24)28-21-9-5-20(6-10-21)25(33)27-13-14-31-15-17-34-18-16-31/h2-12H,13-18H2,1H3,(H,27,33)(H,28,30)
InChIKeyRXRQPSYXNBRGEJ-UHFFFAOYSA-N
MW488.62 g/mol
LogP3.92
Rot. Bonds8

About 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 143916147) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID143916147
Molecular FormulaC26H28N6O2S
Molecular Weight488.62 g/mol
Exact Mass488.20
IUPAC Name4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCSc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nn23)cc1
InChIInChI=1S/C26H28N6O2S/c1-35-22-11-7-19(8-12-22)23-3-2-4-24-29-26(30-32(23)24)28-21-9-5-20(6-10-21)25(33)27-13-14-31-15-17-34-18-16-31/h2-12H,13-18H2,1H3,(H,27,33)(H,28,30)
InChIKeyRXRQPSYXNBRGEJ-UHFFFAOYSA-N
XLogP3.92
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59186275
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44624635
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556116
1-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one
CID 148943934
5-(4-fluorophenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916204
N,N-dimethyl-4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-methoxyphenyl)-N-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 159881017
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 59199086
N-methyl-4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 141394362
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
N-(2-aminoethyl)-4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 157471737
N-(2-methoxyethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186391
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44556015

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 143916147) is 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is CSc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nn23)cc1.
What is the InChIKey of 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is RXRQPSYXNBRGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-35-22-11-7-19(8-12-22)23-3-2-4-24-29-26(30-32(23)24)28-21-9-5-20(6-10-21)25(33)27-13-14-31-15-17-34-18-16-31/h2-12H,13-18H2,1H3,(H,27,33)(H,28,30).
What are the key properties of 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 488.62 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 143916147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).