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

C18H13ClFN5O — CID 126648919

IUPAC7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(-c3cccc(F)c3)ccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
InChIKeyZMHGTFZMJCIDLN-UHFFFAOYSA-N
MW369.79 g/mol
LogP3.97
Rot. Bonds4

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

7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648919) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648919
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC Name7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cc(-c3cccc(F)c3)ccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
InChIKeyZMHGTFZMJCIDLN-UHFFFAOYSA-N
XLogP3.97
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-((4-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126678883
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-[(2,6-dichlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678975
7-((3-chlorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126680348
7-[(2-chlorophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680363
US10214527, Example 27
CID 126679215
US9604989, Example 29
CID 76283178
US10214527, Example 49
CID 126679441

Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648919) is 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cc(-c3cccc(F)c3)ccc2Cl)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ZMHGTFZMJCIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25).
What are the key properties of 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 369.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-chloro-5-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).