2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C20H13F6N5O2 — CID 74767420

IUPAC2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1
InChIInChI=1S/C20H13F6N5O2/c1-32-13-6-7-15-30-17(19(21,22)23)16(31(15)10-13)18-27-9-8-14(29-18)28-11-2-4-12(5-3-11)33-20(24,25)26/h2-10H,1H3,(H,27,28,29)
InChIKeyVAFXJUBTHBKXDK-UHFFFAOYSA-N
MW469.35 g/mol
LogP5.46
Rot. Bonds5

About 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 74767420) has the molecular formula C20H13F6N5O2 and a molecular weight of 469.35 g/mol. Its IUPAC name is 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID74767420
Molecular FormulaC20H13F6N5O2
Molecular Weight469.35 g/mol
Exact Mass469.10
IUPAC Name2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCOc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1
InChIInChI=1S/C20H13F6N5O2/c1-32-13-6-7-15-30-17(19(21,22)23)16(31(15)10-13)18-27-9-8-14(29-18)28-11-2-4-12(5-3-11)33-20(24,25)26/h2-10H,1H3,(H,27,28,29)
InChIKeyVAFXJUBTHBKXDK-UHFFFAOYSA-N
XLogP5.46
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.35
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-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 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 74767420) is 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1.
What is the InChIKey of 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is VAFXJUBTHBKXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N5O2/c1-32-13-6-7-15-30-17(19(21,22)23)16(31(15)10-13)18-27-9-8-14(29-18)28-11-2-4-12(5-3-11)33-20(24,25)26/h2-10H,1H3,(H,27,28,29).
What are the key properties of 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 469.35 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 74767420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).