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

C21H22N8O3S — CID 134303219

IUPACN-[1-[5-[1-[3-(cyanomethyl)-1-cyclopropylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]formamide
SMILESN#CCC1(n2cc(-c3cccc4nc(C5(NC=O)CC5)nn34)cn2)CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C21H22N8O3S/c22-9-8-20(12-27(13-20)33(31,32)16-4-5-16)28-11-15(10-24-28)17-2-1-3-18-25-19(26-29(17)18)21(6-7-21)23-14-30/h1-3,10-11,14,16H,4-8,12-13H2,(H,23,30)
InChIKeyLPODVCICCODOQS-UHFFFAOYSA-N
MW466.53 g/mol
LogP0.74
Rot. Bonds8

About 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

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 (PubChem CID 134303219) has the molecular formula C21H22N8O3S and a molecular weight of 466.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[1-[5-[1-[3-(cyanomethyl)-1-cyclopropylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]formamide
PubChem CID134303219
Molecular FormulaC21H22N8O3S
Molecular Weight466.53 g/mol
Exact Mass466.15
IUPAC NameN-[1-[5-[1-[3-(cyanomethyl)-1-cyclopropylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropyl]formamide
SMILESN#CCC1(n2cc(-c3cccc4nc(C5(NC=O)CC5)nn34)cn2)CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C21H22N8O3S/c22-9-8-20(12-27(13-20)33(31,32)16-4-5-16)28-11-15(10-24-28)17-2-1-3-18-25-19(26-29(17)18)21(6-7-21)23-14-30/h1-3,10-11,14,16H,4-8,12-13H2,(H,23,30)
InChIKeyLPODVCICCODOQS-UHFFFAOYSA-N
XLogP0.74
TPSA138.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
2-[1-cyclopropylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129236908
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-[1-cyclopropylsulfonyl-3-[4-[2-[4-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 58014413
2-[1-cyclopropylsulfonyl-3-[3-[7-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 142530274
2-[1-(S-cyclopropyl-N-ethylsulfonimidoyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 152844277
2-[1-cyclopropylsulfonyl-4-[4-[2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]pyrazol-1-yl]piperidin-4-yl]acetonitrile
CID 58014333
N-[5-[1-[1-cyclopropylsulfonyl-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide
CID 140880399
2-[3-[4-[6-(ethenylamino)pyrimidin-4-yl]pyrazol-1-yl]-1-ethylsulfonylazetidin-3-yl]acetonitrile
CID 146589107
2-[1-methylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 129237027

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#CCC1(n2cc(-c3cccc4nc(C5(NC=O)CC5)nn34)cn2)CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 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?
The InChIKey is LPODVCICCODOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3S/c22-9-8-20(12-27(13-20)33(31,32)16-4-5-16)28-11-15(10-24-28)17-2-1-3-18-25-19(26-29(17)18)21(6-7-21)23-14-30/h1-3,10-11,14,16H,4-8,12-13H2,(H,23,30).
What are the key properties of 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?
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 has a molecular weight of 466.53 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134303219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).