2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile

C21H10F7N5O — CID 118095132

IUPAC2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C21H10F7N5O/c22-12-1-6-17-32-19(20(23,24)25)18(33(17)10-12)15-7-11(9-29)8-16(31-15)30-13-2-4-14(5-3-13)34-21(26,27)28/h1-8,10H,(H,30,31)
InChIKeyDHALYQVVKOPDDE-UHFFFAOYSA-N
MW481.33 g/mol
LogP6.07
Rot. Bonds4

About 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile

2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile (PubChem CID 118095132) has the molecular formula C21H10F7N5O and a molecular weight of 481.33 g/mol. Its IUPAC name is 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
PubChem CID118095132
Molecular FormulaC21H10F7N5O
Molecular Weight481.33 g/mol
Exact Mass481.08
IUPAC Name2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C21H10F7N5O/c22-12-1-6-17-32-19(20(23,24)25)18(33(17)10-12)15-7-11(9-29)8-16(31-15)30-13-2-4-14(5-3-13)34-21(26,27)28/h1-8,10H,(H,30,31)
InChIKeyDHALYQVVKOPDDE-UHFFFAOYSA-N
XLogP6.07
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.33
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile 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-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile (CID 118095132) is 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile is N#Cc1cc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.
What is the InChIKey of 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
The InChIKey is DHALYQVVKOPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F7N5O/c22-12-1-6-17-32-19(20(23,24)25)18(33(17)10-12)15-7-11(9-29)8-16(31-15)30-13-2-4-14(5-3-13)34-21(26,27)28/h1-8,10H,(H,30,31).
What are the key properties of 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile?
2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile has a molecular weight of 481.33 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 118095132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).