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

C18H15FN6O — CID 126649157

IUPAC7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1c(COc2cc(N)nc3n[nH]nc23)cccc1-c1cncc(F)c1
InChIInChI=1S/C18H15FN6O/c1-10-11(3-2-4-14(10)12-5-13(19)8-21-7-12)9-26-15-6-16(20)22-18-17(15)23-25-24-18/h2-8H,9H2,1H3,(H3,20,22,23,24,25)
InChIKeyXUTITLNXUFVDOY-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.02
Rot. Bonds4

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

7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649157) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649157
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1c(COc2cc(N)nc3n[nH]nc23)cccc1-c1cncc(F)c1
InChIInChI=1S/C18H15FN6O/c1-10-11(3-2-4-14(10)12-5-13(19)8-21-7-12)9-26-15-6-16(20)22-18-17(15)23-25-24-18/h2-8H,9H2,1H3,(H3,20,22,23,24,25)
InChIKeyXUTITLNXUFVDOY-UHFFFAOYSA-N
XLogP3.02
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649071
7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678914
7-[(2-methyl-4-pyridin-3-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 160912493
7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648893
7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648804
methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
CID 126648880
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-[[3-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649084
2-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorophenyl]-N,N-dimethylbenzenesulfonamide
CID 126648871
7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145039452
7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950021

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649157) is 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1c(COc2cc(N)nc3n[nH]nc23)cccc1-c1cncc(F)c1.
What is the InChIKey of 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XUTITLNXUFVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-10-11(3-2-4-14(10)12-5-13(19)8-21-7-12)9-26-15-6-16(20)22-18-17(15)23-25-24-18/h2-8H,9H2,1H3,(H3,20,22,23,24,25).
What are the key properties of 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 350.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).