N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

C22H17ClF2N4O — CID 176939050

IUPACN-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESCC(F)(F)c1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1Cl
InChIInChI=1S/C22H17ClF2N4O/c1-22(24,25)18-7-6-17(12-19(18)23)28-21(30)10-14-2-4-15(5-3-14)16-8-9-29-20(11-16)26-13-27-29/h2-9,11-13H,10H2,1H3,(H,28,30)
InChIKeyJPWRKODDNFZVIC-UHFFFAOYSA-N
MW426.85 g/mol
LogP5.34
Rot. Bonds5

About N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide

N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (PubChem CID 176939050) has the molecular formula C22H17ClF2N4O and a molecular weight of 426.85 g/mol. Its IUPAC name is N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
PubChem CID176939050
Molecular FormulaC22H17ClF2N4O
Molecular Weight426.85 g/mol
Exact Mass426.11
IUPAC NameN-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide
SMILESCC(F)(F)c1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1Cl
InChIInChI=1S/C22H17ClF2N4O/c1-22(24,25)18-7-6-17(12-19(18)23)28-21(30)10-14-2-4-15(5-3-14)16-8-9-29-20(11-16)26-13-27-29/h2-9,11-13H,10H2,1H3,(H,28,30)
InChIKeyJPWRKODDNFZVIC-UHFFFAOYSA-N
XLogP5.34
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.85
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide (CID 176939050) is N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is CC(F)(F)c1ccc(NC(=O)Cc2ccc(-c3ccn4ncnc4c3)cc2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
The InChIKey is JPWRKODDNFZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O/c1-22(24,25)18-7-6-17(12-19(18)23)28-21(30)10-14-2-4-15(5-3-14)16-8-9-29-20(11-16)26-13-27-29/h2-9,11-13H,10H2,1H3,(H,28,30).
What are the key properties of N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide?
N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide has a molecular weight of 426.85 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,1-difluoroethyl)phenyl]-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]acetamide is sourced from PubChem (CID 176939050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).