5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C17H19F3N4 — CID 134601022

IUPAC5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C17H19F3N4/c1-9(2)15-23-13(8-24(15)16-4-10(5-16)6-16)11-3-12(17(18,19)20)14(21)22-7-11/h3,7-10H,4-6H2,1-2H3,(H2,21,22)
InChIKeyQUXMELARKXTWBJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.18
Rot. Bonds3

About 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134601022) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134601022
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C17H19F3N4/c1-9(2)15-23-13(8-24(15)16-4-10(5-16)6-16)11-3-12(17(18,19)20)14(21)22-7-11/h3,7-10H,4-6H2,1-2H3,(H2,21,22)
InChIKeyQUXMELARKXTWBJ-UHFFFAOYSA-N
XLogP4.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134601022) is 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2.
What is the InChIKey of 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QUXMELARKXTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c1-9(2)15-23-13(8-24(15)16-4-10(5-16)6-16)11-3-12(17(18,19)20)14(21)22-7-11/h3,7-10H,4-6H2,1-2H3,(H2,21,22).
What are the key properties of 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 336.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134601022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).