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

C21H16F4N4S — CID 122580337

IUPACN-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCSc1cc(Nc2ccc(CF)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H16F4N4S/c1-30-15-10-16(27-17(11-15)26-14-7-5-13(12-22)6-8-14)19-20(21(23,24)25)28-18-4-2-3-9-29(18)19/h2-11H,12H2,1H3,(H,26,27)
InChIKeyCIJWHBVAFYFPJK-UHFFFAOYSA-N
MW432.45 g/mol
LogP6.35
Rot. Bonds5

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

N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 122580337) has the molecular formula C21H16F4N4S and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID122580337
Molecular FormulaC21H16F4N4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC NameN-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCSc1cc(Nc2ccc(CF)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
InChIInChI=1S/C21H16F4N4S/c1-30-15-10-16(27-17(11-15)26-14-7-5-13(12-22)6-8-14)19-20(21(23,24)25)28-18-4-2-3-9-29(18)19/h2-11H,12H2,1H3,(H,26,27)
InChIKeyCIJWHBVAFYFPJK-UHFFFAOYSA-N
XLogP6.35
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 122580337) is N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is CSc1cc(Nc2ccc(CF)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.
What is the InChIKey of N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is CIJWHBVAFYFPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4S/c1-30-15-10-16(27-17(11-15)26-14-7-5-13(12-22)6-8-14)19-20(21(23,24)25)28-18-4-2-3-9-29(18)19/h2-11H,12H2,1H3,(H,26,27).
What are the key properties of N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 432.45 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethyl)phenyl]-4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 122580337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).