6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide

C27H32N8O3S — CID 59186253

IUPAC6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cn4)nn23)c1
InChIInChI=1S/C27H32N8O3S/c1-27(2,3)34-39(37,38)21-7-4-6-18(16-21)22-8-5-9-24-32-26(33-35(22)24)31-23-11-10-19(17-29-23)25(36)30-20-12-14-28-15-13-20/h4-11,16-17,20,28,34H,12-15H2,1-3H3,(H,30,36)(H,29,31,33)
InChIKeySYDIRRGJWHBJRF-UHFFFAOYSA-N
MW548.67 g/mol
LogP3.09
Rot. Bonds7

About 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide

6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 59186253) has the molecular formula C27H32N8O3S and a molecular weight of 548.67 g/mol. Its IUPAC name is 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
PubChem CID59186253
Molecular FormulaC27H32N8O3S
Molecular Weight548.67 g/mol
Exact Mass548.23
IUPAC Name6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cn4)nn23)c1
InChIInChI=1S/C27H32N8O3S/c1-27(2,3)34-39(37,38)21-7-4-6-18(16-21)22-8-5-9-24-32-26(33-35(22)24)31-23-11-10-19(17-29-23)25(36)30-20-12-14-28-15-13-20/h4-11,16-17,20,28,34H,12-15H2,1-3H3,(H,30,36)(H,29,31,33)
InChIKeySYDIRRGJWHBJRF-UHFFFAOYSA-N
XLogP3.09
TPSA142.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.67
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide (CID 59186253) is 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(C(=O)NC5CCNCC5)cn4)nn23)c1.
What is the InChIKey of 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is SYDIRRGJWHBJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3S/c1-27(2,3)34-39(37,38)21-7-4-6-18(16-21)22-8-5-9-24-32-26(33-35(22)24)31-23-11-10-19(17-29-23)25(36)30-20-12-14-28-15-13-20/h4-11,16-17,20,28,34H,12-15H2,1-3H3,(H,30,36)(H,29,31,33).
What are the key properties of 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide?
6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 548.67 g/mol, XLogP of 3.09, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[3-(tert-butylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 59186253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).