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

C21H17F3N4S — CID 118101437

IUPAC6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1
InChIInChI=1S/C21H17F3N4S/c1-13-20(28-10-4-3-5-19(28)25-13)17-11-16(29-2)12-18(27-17)26-15-8-6-14(7-9-15)21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyRWKIVEQWYKEMBZ-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.19
Rot. Bonds4

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

6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 118101437) has the molecular formula C21H17F3N4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID118101437
Molecular FormulaC21H17F3N4S
Molecular Weight414.46 g/mol
Exact Mass414.11
IUPAC Name6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1
InChIInChI=1S/C21H17F3N4S/c1-13-20(28-10-4-3-5-19(28)25-13)17-11-16(29-2)12-18(27-17)26-15-8-6-14(7-9-15)21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyRWKIVEQWYKEMBZ-UHFFFAOYSA-N
XLogP6.19
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 118101437) is 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1.
What is the InChIKey of 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is RWKIVEQWYKEMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4S/c1-13-20(28-10-4-3-5-19(28)25-13)17-11-16(29-2)12-18(27-17)26-15-8-6-14(7-9-15)21(22,23)24/h3-12H,1-2H3,(H,26,27).
What are the key properties of 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 414.46 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 118101437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).