6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C13H9BrF3N5O — CID 134229500

IUPAC6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C13H9BrF3N5O/c1-5-7(10(18)11-12(20-5)22-23-21-11)2-6-3-8(13(15,16)17)9(14)4-19-6/h3-4H,2,18H2,1H3
InChIKeyXYPROBNFJCUXSN-UHFFFAOYSA-N
MW388.15 g/mol
LogP3.28
Rot. Bonds2

About 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229500) has the molecular formula C13H9BrF3N5O and a molecular weight of 388.15 g/mol. Its IUPAC name is 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229500
Molecular FormulaC13H9BrF3N5O
Molecular Weight388.15 g/mol
Exact Mass386.99
IUPAC Name6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C13H9BrF3N5O/c1-5-7(10(18)11-12(20-5)22-23-21-11)2-6-3-8(13(15,16)17)9(14)4-19-6/h3-4H,2,18H2,1H3
InChIKeyXYPROBNFJCUXSN-UHFFFAOYSA-N
XLogP3.28
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
5-Methyl-6-[[3-[6-(trifluoromethyl)pyridin-2-yl]pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
CID 139382201
2-(2-amino-4-pyridinyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 70695756
5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745697
4-(1-Ethyl-4-phenyl-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine
CID 44397012
US10308667, Example 134
CID 134229419
US10308667, Example 133
CID 134229434
US10308667, Example 22
CID 134229438
US10308667, Example 83
CID 134229464
US10308667, Example 61
CID 134229472
US10308667, Example 144
CID 134229473
US10308667, Example 84
CID 134229485

Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229500) is 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1cc(C(F)(F)F)c(Br)cn1.
What is the InChIKey of 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is XYPROBNFJCUXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N5O/c1-5-7(10(18)11-12(20-5)22-23-21-11)2-6-3-8(13(15,16)17)9(14)4-19-6/h3-4H,2,18H2,1H3.
What are the key properties of 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 388.15 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-bromo-4-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).