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

C18H13F2N5O — CID 126649071

IUPAC7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-c3cccc(F)c3)c2F)c2n[nH]nc2n1
InChIInChI=1S/C18H13F2N5O/c19-12-5-1-3-10(7-12)13-6-2-4-11(16(13)20)9-26-14-8-15(21)22-18-17(14)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
InChIKeyRVMBJFLRXNRIJY-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.46
Rot. Bonds4

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

7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649071) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649071
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-c3cccc(F)c3)c2F)c2n[nH]nc2n1
InChIInChI=1S/C18H13F2N5O/c19-12-5-1-3-10(7-12)13-6-2-4-11(16(13)20)9-26-14-8-15(21)22-18-17(14)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
InChIKeyRVMBJFLRXNRIJY-UHFFFAOYSA-N
XLogP3.46
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-6-amine
CID 126649072
7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648893
7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648804
7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678914
methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
CID 126648880
7-[(2-methyl-4-pyridin-3-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 160912493
2-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorophenyl]-N,N-dimethylbenzenesulfonamide
CID 126648871
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949734
[5-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 126680018
7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145039452

Frequently Asked Questions

What is the IUPAC name of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649071) is 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(-c3cccc(F)c3)c2F)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is RVMBJFLRXNRIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-12-5-1-3-10(7-12)13-6-2-4-11(16(13)20)9-26-14-8-15(21)22-18-17(14)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25).
What are the key properties of 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 353.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).