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

C15H14BrF3N6O — CID 134229419

IUPAC6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCCC(F)(F)F)n1
InChIInChI=1S/C15H14BrF3N6O/c1-7-9(11(20)12-14(22-7)25-26-24-12)6-8-2-3-10(16)13(23-8)21-5-4-15(17,18)19/h2-3H,4-6,20H2,1H3,(H,21,23)
InChIKeyNYLZEQKDDLTFMM-UHFFFAOYSA-N
MW431.22 g/mol
LogP3.62
Rot. Bonds5

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

6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229419) has the molecular formula C15H14BrF3N6O and a molecular weight of 431.22 g/mol. Its IUPAC name is 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229419
Molecular FormulaC15H14BrF3N6O
Molecular Weight431.22 g/mol
Exact Mass430.04
IUPAC Name6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCCC(F)(F)F)n1
InChIInChI=1S/C15H14BrF3N6O/c1-7-9(11(20)12-14(22-7)25-26-24-12)6-8-2-3-10(16)13(23-8)21-5-4-15(17,18)19/h2-3H,4-6,20H2,1H3,(H,21,23)
InChIKeyNYLZEQKDDLTFMM-UHFFFAOYSA-N
XLogP3.62
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

US10308667, Example 139
CID 134229508
Dyrk1A-IN-4
CID 135335888
7-Bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10714258
4-[2-Methyl-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335802
4-[3-(2,2-Difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335870
US10308667, Example 153
CID 134229417
US10308667, Example 133
CID 134229434
US10308667, Example 22
CID 134229438
US10308667, Example 142
CID 134229443
US10308667, Example 83
CID 134229464
US10308667, Example 144
CID 134229473
US10308667, Example 84
CID 134229485

Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229419) is 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCCC(F)(F)F)n1.
What is the InChIKey of 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is NYLZEQKDDLTFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N6O/c1-7-9(11(20)12-14(22-7)25-26-24-12)6-8-2-3-10(16)13(23-8)21-5-4-15(17,18)19/h2-3H,4-6,20H2,1H3,(H,21,23).
What are the key properties of 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 431.22 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-bromo-6-(3,3,3-trifluoropropylamino)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).