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

C20H12F6N4O — CID 118101462

IUPACN-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)18-17(30-11-2-1-6-16(30)29-18)14-4-3-5-15(28-14)27-12-7-9-13(10-8-12)31-20(24,25)26/h1-11H,(H,27,28)
InChIKeyGODHLUNPWDOGKG-UHFFFAOYSA-N
MW438.33 g/mol
LogP6.06
Rot. Bonds4

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

N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 118101462) has the molecular formula C20H12F6N4O and a molecular weight of 438.33 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID118101462
Molecular FormulaC20H12F6N4O
Molecular Weight438.33 g/mol
Exact Mass438.09
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)18-17(30-11-2-1-6-16(30)29-18)14-4-3-5-15(28-14)27-12-7-9-13(10-8-12)31-20(24,25)26/h1-11H,(H,27,28)
InChIKeyGODHLUNPWDOGKG-UHFFFAOYSA-N
XLogP6.06
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 118101462) is N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is FC(F)(F)Oc1ccc(Nc2cccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is GODHLUNPWDOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O/c21-19(22,23)18-17(30-11-2-1-6-16(30)29-18)14-4-3-5-15(28-14)27-12-7-9-13(10-8-12)31-20(24,25)26/h1-11H,(H,27,28).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 438.33 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 118101462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).