4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

C25H26N6O3S — CID 44555571

IUPAC4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)cc1
InChIInChI=1S/C25H26N6O3S/c1-35(33,34)21-11-7-17(8-12-21)22-3-2-4-23-29-25(30-31(22)23)28-19-9-5-18(6-10-19)24(32)27-20-13-15-26-16-14-20/h2-12,20,26H,13-16H2,1H3,(H,27,32)(H,28,30)
InChIKeyUJZXZQIZRWRTMB-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.03
Rot. Bonds6

About 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 44555571) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
PubChem CID44555571
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)cc1
InChIInChI=1S/C25H26N6O3S/c1-35(33,34)21-11-7-17(8-12-21)22-3-2-4-23-29-25(30-31(22)23)28-19-9-5-18(6-10-19)24(32)27-20-13-15-26-16-14-20/h2-12,20,26H,13-16H2,1H3,(H,27,32)(H,28,30)
InChIKeyUJZXZQIZRWRTMB-UHFFFAOYSA-N
XLogP3.03
TPSA117.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 59186171
4-[[5-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 143916178
N-cyclopropyl-4-[[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44625410
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide
CID 44624093
3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 70244596
4-[[5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91017506
(2S)-3,3-dimethyl-2-[4-[4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazin-1-yl]-4-oxobutanamide
CID 172736273
3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186169
ethyl 4-[[5-[4-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
CID 68732316
N-cyclopentyl-4-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 90670284
4-[[5-[3-(propan-2-ylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186365

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 44555571) is 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nn23)cc1.
What is the InChIKey of 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The InChIKey is UJZXZQIZRWRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-35(33,34)21-11-7-17(8-12-21)22-3-2-4-23-29-25(30-31(22)23)28-19-9-5-18(6-10-19)24(32)27-20-13-15-26-16-14-20/h2-12,20,26H,13-16H2,1H3,(H,27,32)(H,28,30).
What are the key properties of 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 490.59 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 44555571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).