2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C21H17F4N5O2 — CID 170186894

IUPAC2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCc1cccnc1Oc1ccc(CC(=O)NC2N=C3C=CC(C(F)(F)F)=CN3N2)cc1F
InChIInChI=1S/C21H17F4N5O2/c1-12-3-2-8-26-19(12)32-16-6-4-13(9-15(16)22)10-18(31)28-20-27-17-7-5-14(21(23,24)25)11-30(17)29-20/h2-9,11,20,29H,10H2,1H3,(H,28,31)
InChIKeyMDDUQWGESZOVMX-UHFFFAOYSA-N
MW447.39 g/mol
LogP3.50
Rot. Bonds5

About 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 170186894) has the molecular formula C21H17F4N5O2 and a molecular weight of 447.39 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID170186894
Molecular FormulaC21H17F4N5O2
Molecular Weight447.39 g/mol
Exact Mass447.13
IUPAC Name2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCc1cccnc1Oc1ccc(CC(=O)NC2N=C3C=CC(C(F)(F)F)=CN3N2)cc1F
InChIInChI=1S/C21H17F4N5O2/c1-12-3-2-8-26-19(12)32-16-6-4-13(9-15(16)22)10-18(31)28-20-27-17-7-5-14(21(23,24)25)11-30(17)29-20/h2-9,11,20,29H,10H2,1H3,(H,28,31)
InChIKeyMDDUQWGESZOVMX-UHFFFAOYSA-N
XLogP3.50
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 170186894) is 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is Cc1cccnc1Oc1ccc(CC(=O)NC2N=C3C=CC(C(F)(F)F)=CN3N2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is MDDUQWGESZOVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N5O2/c1-12-3-2-8-26-19(12)32-16-6-4-13(9-15(16)22)10-18(31)28-20-27-17-7-5-14(21(23,24)25)11-30(17)29-20/h2-9,11,20,29H,10H2,1H3,(H,28,31).
What are the key properties of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 447.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-[6-(trifluoromethyl)-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 170186894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).