7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C18H12F4N6O2 — CID 126678914

IUPAC7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(-c3cncc(F)c3)cc2OC(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C18H12F4N6O2/c19-12-3-11(6-24-7-12)9-1-2-10(13(4-9)30-18(20,21)22)8-29-14-5-15(23)25-17-16(14)26-28-27-17/h1-7H,8H2,(H3,23,25,26,27,28)
InChIKeyKYSOPDKQRCZQOC-UHFFFAOYSA-N
MW420.33 g/mol
LogP3.61
Rot. Bonds5

About 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678914) has the molecular formula C18H12F4N6O2 and a molecular weight of 420.33 g/mol. Its IUPAC name is 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678914
Molecular FormulaC18H12F4N6O2
Molecular Weight420.33 g/mol
Exact Mass420.10
IUPAC Name7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2ccc(-c3cncc(F)c3)cc2OC(F)(F)F)c2n[nH]nc2n1
InChIInChI=1S/C18H12F4N6O2/c19-12-3-11(6-24-7-12)9-1-2-10(13(4-9)30-18(20,21)22)8-29-14-5-15(23)25-17-16(14)26-28-27-17/h1-7H,8H2,(H3,23,25,26,27,28)
InChIKeyKYSOPDKQRCZQOC-UHFFFAOYSA-N
XLogP3.61
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

[5-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 126680018
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
7-[(2-methyl-4-pyridin-3-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 160912493
7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649071
7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949734
7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 158757852
7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 159251011
7-[1-(2-fluorophenyl)ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680397
7-[[2-fluoro-5-(trifluoromethoxy)phenyl]methoxy]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126680564
methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
CID 126648880
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126678914) is 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2ccc(-c3cncc(F)c3)cc2OC(F)(F)F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is KYSOPDKQRCZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N6O2/c19-12-3-11(6-24-7-12)9-1-2-10(13(4-9)30-18(20,21)22)8-29-14-5-15(23)25-17-16(14)26-28-27-17/h1-7H,8H2,(H3,23,25,26,27,28).
What are the key properties of 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 420.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).