2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile

C15H16N8O2S — CID 122667431

IUPAC2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile
SMILESCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccc4nc(N)nn34)cn2)C1
InChIInChI=1S/C15H16N8O2S/c1-26(24,25)21-9-15(10-21,5-6-16)22-8-11(7-18-22)12-3-2-4-13-19-14(17)20-23(12)13/h2-4,7-8H,5,9-10H2,1H3,(H2,17,20)
InChIKeyRGGUZESTKSSINV-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.06
Rot. Bonds4

About 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile

2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile (PubChem CID 122667431) has the molecular formula C15H16N8O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile
PubChem CID122667431
Molecular FormulaC15H16N8O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile
SMILESCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccc4nc(N)nn34)cn2)C1
InChIInChI=1S/C15H16N8O2S/c1-26(24,25)21-9-15(10-21,5-6-16)22-8-11(7-18-22)12-3-2-4-13-19-14(17)20-23(12)13/h2-4,7-8H,5,9-10H2,1H3,(H2,17,20)
InChIKeyRGGUZESTKSSINV-UHFFFAOYSA-N
XLogP0.06
TPSA135.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfanylazetidin-3-yl]acetonitrile
CID 145177403
carbanide;N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;tungsten
CID 158074292
5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 140880394
2-[3-(4-aminopyrazol-1-yl)-1-methylsulfonylazetidin-3-yl]acetonitrile
CID 163210881
N-[1-[5-[1-[3-(cyanomethyl)-1-cyclopropylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]formamide
CID 134303219
2-[1-methylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129237027
propan-2-yl 4-[1-[3-(cyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138597572
2-cyano-N-[5-[1-[3-(cyanomethyl)-1-(methanesulfonamido)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]acetamide
CID 134303226
3-[4-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-tert-butylpyrazol-1-yl]-3-(cyanomethyl)azetidine-1-carboxylic acid
CID 135147553
2-[1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 67391744
dihydroxy(oxo)phosphanium;2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 67017228
2-[2,2-dideuterio-1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 73296779

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile (CID 122667431) is 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile is CS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccc4nc(N)nn34)cn2)C1.
What is the InChIKey of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile?
The InChIKey is RGGUZESTKSSINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2S/c1-26(24,25)21-9-15(10-21,5-6-16)22-8-11(7-18-22)12-3-2-4-13-19-14(17)20-23(12)13/h2-4,7-8H,5,9-10H2,1H3,(H2,17,20).
What are the key properties of 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile?
2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile has a molecular weight of 372.41 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrazol-1-yl]-1-methylsulfonylazetidin-3-yl]acetonitrile is sourced from PubChem (CID 122667431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).