7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C19H15F2N5O2 — CID 126648804

IUPAC7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccccc1-c1ccc(F)c(COc2cc(N)nc3n[nH]nc23)c1F
InChIInChI=1S/C19H15F2N5O2/c1-27-14-5-3-2-4-10(14)11-6-7-13(20)12(17(11)21)9-28-15-8-16(22)23-19-18(15)24-26-25-19/h2-8H,9H2,1H3,(H3,22,23,24,25,26)
InChIKeySTWDBJCTPAJRFM-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.47
Rot. Bonds5

About 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648804) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648804
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccccc1-c1ccc(F)c(COc2cc(N)nc3n[nH]nc23)c1F
InChIInChI=1S/C19H15F2N5O2/c1-27-14-5-3-2-4-10(14)11-6-7-13(20)12(17(11)21)9-28-15-8-16(22)23-19-18(15)24-26-25-19/h2-8H,9H2,1H3,(H3,22,23,24,25,26)
InChIKeySTWDBJCTPAJRFM-UHFFFAOYSA-N
XLogP3.47
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648804) is 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is COc1ccccc1-c1ccc(F)c(COc2cc(N)nc3n[nH]nc23)c1F.
What is the InChIKey of 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is STWDBJCTPAJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-27-14-5-3-2-4-10(14)11-6-7-13(20)12(17(11)21)9-28-15-8-16(22)23-19-18(15)24-26-25-19/h2-8H,9H2,1H3,(H3,22,23,24,25,26).
What are the key properties of 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 383.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).