7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C15H12F3N7O — CID 118950340

IUPAC7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1c(COc2cc(N)nc3n[nH]nc23)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C15H12F3N7O/c1-7-9(20-12-3-2-8(5-25(7)12)15(16,17)18)6-26-10-4-11(19)21-14-13(10)22-24-23-14/h2-5H,6H2,1H3,(H3,19,21,22,23,24)
InChIKeyMRDDMLDFEJKJAV-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.49
Rot. Bonds3

About 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118950340) has the molecular formula C15H12F3N7O and a molecular weight of 363.30 g/mol. Its IUPAC name is 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118950340
Molecular FormulaC15H12F3N7O
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1c(COc2cc(N)nc3n[nH]nc23)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C15H12F3N7O/c1-7-9(20-12-3-2-8(5-25(7)12)15(16,17)18)6-26-10-4-11(19)21-14-13(10)22-24-23-14/h2-5H,6H2,1H3,(H3,19,21,22,23,24)
InChIKeyMRDDMLDFEJKJAV-UHFFFAOYSA-N
XLogP2.49
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
(S)-(3-((9-ethyl-8-(6-(trifluoromethyl)pyridin-3-yl)-9H-purin-6-yl)oxy)pyrrolidin-1-yl)(3-methoxyazetidin-1-yl)methanone
CID 90166703
10-Methoxy-5-methyl-3-(3-methyl-4-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 46199799
7-[(1-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949632
7-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950056
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648798
7-[(2-pyrazol-1-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649120
US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250348

Frequently Asked Questions

What is the IUPAC name of 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118950340) is 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1c(COc2cc(N)nc3n[nH]nc23)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MRDDMLDFEJKJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7O/c1-7-9(20-12-3-2-8(5-25(7)12)15(16,17)18)6-26-10-4-11(19)21-14-13(10)22-24-23-14/h2-5H,6H2,1H3,(H3,19,21,22,23,24).
What are the key properties of 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 363.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118950340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).