N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H20N6O3S — CID 58374667

IUPACN-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)Cc4ccccc4)nc3)n2n1)C1CC1
InChIInChI=1S/C22H20N6O3S/c29-21(16-9-10-16)25-22-24-20-8-4-7-18(28(20)26-22)17-11-12-19(23-13-17)27-32(30,31)14-15-5-2-1-3-6-15/h1-8,11-13,16H,9-10,14H2,(H,23,27)(H,25,26,29)
InChIKeyMAELSUROPBTPRZ-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.08
Rot. Bonds7

About N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374667) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374667
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC NameN-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)Cc4ccccc4)nc3)n2n1)C1CC1
InChIInChI=1S/C22H20N6O3S/c29-21(16-9-10-16)25-22-24-20-8-4-7-18(28(20)26-22)17-11-12-19(23-13-17)27-32(30,31)14-15-5-2-1-3-6-15/h1-8,11-13,16H,9-10,14H2,(H,23,27)(H,25,26,29)
InChIKeyMAELSUROPBTPRZ-UHFFFAOYSA-N
XLogP3.08
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 135894059
N-[5-[4-[(4-propylphenyl)sulfonylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44626248
N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67330143
N-[5-[6-[methyl(pyridin-3-yl)amino]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90106241
N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374720
N-[5-[4-(2H-tetrazol-5-ylmethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374732
N-[5-[4-[[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70241748
N-[5-[4-[[2-(aminomethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70240226
[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate
CID 90107074

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374667) is N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)Cc4ccccc4)nc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MAELSUROPBTPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c29-21(16-9-10-16)25-22-24-20-8-4-7-18(28(20)26-22)17-11-12-19(23-13-17)27-32(30,31)14-15-5-2-1-3-6-15/h1-8,11-13,16H,9-10,14H2,(H,23,27)(H,25,26,29).
What are the key properties of N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(benzylsulfonylamino)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).