2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine

C11H13F3N4 — CID 102548896

IUPAC2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine
SMILESCC(C)C(N)c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H13F3N4/c1-5(2)8(15)10-17-7-3-6(11(12,13)14)4-16-9(7)18-10/h3-5,8H,15H2,1-2H3,(H,16,17,18)
InChIKeyOKGCQZMVWGAKHE-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.63
Rot. Bonds2

About 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine

2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine (PubChem CID 102548896) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine
PubChem CID102548896
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine
SMILESCC(C)C(N)c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H13F3N4/c1-5(2)8(15)10-17-7-3-6(11(12,13)14)4-16-9(7)18-10/h3-5,8H,15H2,1-2H3,(H,16,17,18)
InChIKeyOKGCQZMVWGAKHE-UHFFFAOYSA-N
XLogP2.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine (CID 102548896) is 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine is CC(C)C(N)c1nc2ncc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine?
The InChIKey is OKGCQZMVWGAKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-5(2)8(15)10-17-7-3-6(11(12,13)14)4-16-9(7)18-10/h3-5,8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine?
2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine has a molecular weight of 258.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-amine is sourced from PubChem (CID 102548896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).