[4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone

C20H17F2N7O2 — CID 91073181

IUPAC[4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(Nc2nc3c(-c4cnn(C(F)F)c4)cccn3n2)cc1)N1CC(O)C1
InChIInChI=1S/C20H17F2N7O2/c21-19(22)29-9-13(8-23-29)16-2-1-7-28-17(16)25-20(26-28)24-14-5-3-12(4-6-14)18(31)27-10-15(30)11-27/h1-9,15,19,30H,10-11H2,(H,24,26)
InChIKeyVKORKRIBJRWMTR-UHFFFAOYSA-N
MW425.40 g/mol
LogP2.55
Rot. Bonds5

About [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone

[4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 91073181) has the molecular formula C20H17F2N7O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID91073181
Molecular FormulaC20H17F2N7O2
Molecular Weight425.40 g/mol
Exact Mass425.14
IUPAC Name[4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc(Nc2nc3c(-c4cnn(C(F)F)c4)cccn3n2)cc1)N1CC(O)C1
InChIInChI=1S/C20H17F2N7O2/c21-19(22)29-9-13(8-23-29)16-2-1-7-28-17(16)25-20(26-28)24-14-5-3-12(4-6-14)18(31)27-10-15(30)11-27/h1-9,15,19,30H,10-11H2,(H,24,26)
InChIKeyVKORKRIBJRWMTR-UHFFFAOYSA-N
XLogP2.55
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

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Related Compounds

4-(3-methoxy-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775470
US9555022, Example 02.29
CID 54770142
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298210
CID 137367190
CID 137367190
N-[6-[4-(azetidin-1-yl)piperidin-1-yl]-2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137367378
N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[4-(oxetan-3-yl)piperazin-1-yl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146483027
4-(3-Methoxyazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377629
5-[[4-[4-[(3-hydroxyazetidin-1-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162662603
5-[[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57403758
US9555022, Example 04.20
CID 54771712
US9555022, Example 04.21
CID 54771713
4-[4-amino-1-[(4R)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901411

Frequently Asked Questions

What is the IUPAC name of [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone (CID 91073181) is [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone is O=C(c1ccc(Nc2nc3c(-c4cnn(C(F)F)c4)cccn3n2)cc1)N1CC(O)C1.
What is the InChIKey of [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is VKORKRIBJRWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O2/c21-19(22)29-9-13(8-23-29)16-2-1-7-28-17(16)25-20(26-28)24-14-5-3-12(4-6-14)18(31)27-10-15(30)11-27/h1-9,15,19,30H,10-11H2,(H,24,26).
What are the key properties of [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone?
[4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 425.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-[1-(difluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 91073181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).